2KZR
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![BU of 2kzr by Molmil](/molmil-images/mine/2kzr) | Solution NMR Structure of Ubiquitin thioesterase OTU1 (EC 3.1.2.-) from Mus musculus, Northeast Structural Genomics Consortium Target MmT2A | Descriptor: | Ubiquitin thioesterase OTU1 | Authors: | Chitayat, S, Gutmanas, A, Lemak, A, Yee, A, Bezsonova, I, Wu, B, Doherty, R.S, Semesi, A, Montelione, G.T, Arrowsmith, C.H, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-23 | Release date: | 2010-07-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target MmT2A To be Published
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2O4E
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![BU of 2o4e by Molmil](/molmil-images/mine/2o4e) | The solution structure of a protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens | Descriptor: | O-GlcNAcase nagJ | Authors: | Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P. | Deposit date: | 2006-12-04 | Release date: | 2007-11-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase. J.Mol.Biol., 375, 2008
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2JH2
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![BU of 2jh2 by Molmil](/molmil-images/mine/2jh2) | X-ray crystal structure of a cohesin-like module from Clostridium perfringens | Descriptor: | O-GLCNACASE NAGJ | Authors: | Chitayat, S, Gregg, K, Adams, J.J, Ficko-Blean, E, Bayer, E.A, Boraston, A.B, Smith, S.P. | Deposit date: | 2007-02-19 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-Dimensional Structure of a Putative Non- Cellulosomal Cohesin Module from a Clostridium Perfringens Family 84 Glycoside Hydrolase. J.Mol.Biol., 375, 2008
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2JNK
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![BU of 2jnk by Molmil](/molmil-images/mine/2jnk) | |
2FEB
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![BU of 2feb by Molmil](/molmil-images/mine/2feb) | NMR Solution Structure, Dynamics and Binding Properties of the Kringle IV Type 8 module of apolipoprotein(a) | Descriptor: | Apolipoprotein(a) | Authors: | Chitayat, S, Kanelis, V, Koschinsky, M.L, Smith, S.P. | Deposit date: | 2005-12-15 | Release date: | 2006-12-26 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance (NMR) solution structure, dynamics, and binding properties of the kringle IV type 8 module of apolipoprotein(a). Biochemistry, 46, 2007
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8G62
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![BU of 8g62 by Molmil](/molmil-images/mine/8g62) | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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5TLQ
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![BU of 5tlq by Molmil](/molmil-images/mine/5tlq) | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | Deposit date: | 2016-10-11 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
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2KWF
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![BU of 2kwf by Molmil](/molmil-images/mine/2kwf) | The structure of E-protein activation domain 1 bound to the KIX domain of CBP/p300 elucidates leukemia induction by E2A-PBX1 | Descriptor: | CREB-binding protein, Transcription factor 4 | Authors: | Denis, C.M, Chitayat, S, Plevin, M.J, Liu, S, Spencer, H.L, Ikura, M, LeBrun, D.P, Smith, S.P. | Deposit date: | 2010-04-08 | Release date: | 2011-07-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The structure of E-protein activation domain 1 bound to the KIX domain of CBP/p300 elucidates leukemia induction by E2A-PBX1 To be Published
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2LS6
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![BU of 2ls6 by Molmil](/molmil-images/mine/2ls6) | Solution NMR Structure of a Non-canonical galactose-binding CBM32 from Clostridium perfringens | Descriptor: | Hyaluronoglucosaminidase | Authors: | Grondin, J.M, Chitayat, S, Ficko-Blean, E, Boraston, A.B, Smith, S.P. | Deposit date: | 2012-04-20 | Release date: | 2013-05-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | An unusual mode of galactose recognition by a family 32 carbohydrate-binding module. J.Mol.Biol., 426, 2014
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2LTJ
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![BU of 2ltj by Molmil](/molmil-images/mine/2ltj) | Conformational analysis of StrH, the surface-attached exo- beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae | Descriptor: | Beta-N-acetylhexosaminidase | Authors: | Pluvinage, B, Chitayat, S, Ficko-Blean, E, Abbott, D, Kunjachen, J, Grondin, J, Spencer, H, Smith, S, Boraston, A. | Deposit date: | 2012-05-28 | Release date: | 2012-11-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Conformational analysis of StrH, the surface-attached exo-beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae. J.Mol.Biol., 425, 2013
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5VOE
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![BU of 5voe by Molmil](/molmil-images/mine/5voe) | DesGla-XaS195A Bound to Aptamer 11F7t | Descriptor: | Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ... | Authors: | Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A. | Deposit date: | 2017-05-02 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat. Biotechnol., 36, 2018
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1ISG
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![BU of 1isg by Molmil](/molmil-images/mine/1isg) | Crystal Structure Analysis of BST-1/CD157 with ATPgammaS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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1ISJ
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![BU of 1isj by Molmil](/molmil-images/mine/1isj) | Crystal Structure Analysis of BST-1/CD157 complexed with NMN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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4QF1
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![BU of 4qf1 by Molmil](/molmil-images/mine/4qf1) | Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ... | Authors: | Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2014-05-19 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved. Immunity, 41, 2014
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1ISM
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![BU of 1ism by Molmil](/molmil-images/mine/1ism) | Crystal Structure Analysis of BST-1/CD157 complexed with nicotinamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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1ISF
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![BU of 1isf by Molmil](/molmil-images/mine/1isf) | Crystal Structure Analysis of BST-1/CD157 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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1ISH
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![BU of 1ish by Molmil](/molmil-images/mine/1ish) | Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNADP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHENO-NADP, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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1ISI
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![BU of 1isi by Molmil](/molmil-images/mine/1isi) | Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNAD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate, ... | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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4RIS
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![BU of 4ris by Molmil](/molmil-images/mine/4ris) | Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk | Descriptor: | CH58-UA Fab heavy chain, CH58-UA Fab light chain, Envelope glycoprotein | Authors: | Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F. | Deposit date: | 2014-10-07 | Release date: | 2015-08-12 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee. EBioMedicine, 2, 2015
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4RIR
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![BU of 4rir by Molmil](/molmil-images/mine/4rir) | Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk | Descriptor: | CH58-UA Fab heavy chain, CH58-UA Fab light chain | Authors: | Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F. | Deposit date: | 2014-10-07 | Release date: | 2015-08-12 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee. EBioMedicine, 2, 2015
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2LFE
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![BU of 2lfe by Molmil](/molmil-images/mine/2lfe) | Solution NMR structure of N-terminal domain of human E3 ubiquitin-protein ligase HECW2, Northeast structural genomics consortium (NESG) target ht6306A | Descriptor: | E3 ubiquitin-protein ligase HECW2 | Authors: | Lemak, A, Yee, A, Houliston, S, Garcia, M, Chitayat, S, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-29 | Release date: | 2011-07-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure of N-terminal domain of E3 ligase HECW2 To be Published
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2YM4
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![BU of 2ym4 by Molmil](/molmil-images/mine/2ym4) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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