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2KZR
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BU of 2kzr by Molmil
Solution NMR Structure of Ubiquitin thioesterase OTU1 (EC 3.1.2.-) from Mus musculus, Northeast Structural Genomics Consortium Target MmT2A
分子名称: Ubiquitin thioesterase OTU1
著者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)
登録日2010-06-23
公開日2010-07-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target MmT2A
To be Published
2O4E
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BU of 2o4e by Molmil
The solution structure of a protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens
分子名称: O-GlcNAcase nagJ
著者Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P.
登録日2006-12-04
公開日2007-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase.
J.Mol.Biol., 375, 2008
2JH2
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BU of 2jh2 by Molmil
X-ray crystal structure of a cohesin-like module from Clostridium perfringens
分子名称: O-GLCNACASE NAGJ
著者Chitayat, S, Gregg, K, Adams, J.J, Ficko-Blean, E, Bayer, E.A, Boraston, A.B, Smith, S.P.
登録日2007-02-19
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-Dimensional Structure of a Putative Non- Cellulosomal Cohesin Module from a Clostridium Perfringens Family 84 Glycoside Hydrolase.
J.Mol.Biol., 375, 2008
2FEB
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BU of 2feb by Molmil
NMR Solution Structure, Dynamics and Binding Properties of the Kringle IV Type 8 module of apolipoprotein(a)
分子名称: Apolipoprotein(a)
著者Chitayat, S, Kanelis, V, Koschinsky, M.L, Smith, S.P.
登録日2005-12-15
公開日2006-12-26
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance (NMR) solution structure, dynamics, and binding properties of the kringle IV type 8 module of apolipoprotein(a).
Biochemistry, 46, 2007
2JNK
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BU of 2jnk by Molmil
Solution structure of a dockerin-containing modular pair from a family 84 glycoside hydrolase
分子名称: Hyalurononglucosaminidase
著者Chitayat, S, Adams, J.J, Bayer, E.A, Smith, S.P.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献The solution structure of the C-terminal modular pair from Clostridium perfringens mu-toxin reveals a noncellulosomal dockerin module
J.Mol.Biol., 381, 2008
8G62
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BU of 8g62 by Molmil
Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
分子名称: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
著者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)
登録日2023-02-14
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
5TLQ
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BU of 5tlq by Molmil
Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex
分子名称: 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA
著者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.
登録日2016-10-11
公開日2017-04-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
1ISH
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BU of 1ish by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNADP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHENO-NADP, bone marrow stromal cell antigen 1
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1ISF
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Crystal Structure Analysis of BST-1/CD157
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, bone marrow stromal cell antigen 1
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1ISJ
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BU of 1isj by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with NMN
分子名称: 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
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1ISI
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BU of 1isi by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNAD
分子名称: 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, ...
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1ISG
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BU of 1isg by Molmil
Crystal Structure Analysis of BST-1/CD157 with ATPgammaS
分子名称: 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
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1ISM
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BU of 1ism by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with nicotinamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, bone marrow stromal cell antigen 1
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
5VOE
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BU of 5voe by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t
分子名称: Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ...
著者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.
登録日2017-05-02
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
4QF1
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BU of 4qf1 by Molmil
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
著者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.
登録日2014-05-19
公開日2015-02-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
2LFE
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BU of 2lfe by Molmil
Solution NMR structure of N-terminal domain of human E3 ubiquitin-protein ligase HECW2, Northeast structural genomics consortium (NESG) target ht6306A
分子名称: E3 ubiquitin-protein ligase HECW2
著者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)
登録日2011-06-29
公開日2011-07-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of N-terminal domain of E3 ligase HECW2
To be Published
2KWF
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BU of 2kwf by Molmil
The structure of E-protein activation domain 1 bound to the KIX domain of CBP/p300 elucidates leukemia induction by E2A-PBX1
分子名称: CREB-binding protein, Transcription factor 4
著者Denis, C.M, Chitayat, S, Plevin, M.J, Liu, S, Spencer, H.L, Ikura, M, LeBrun, D.P, Smith, S.P.
登録日2010-04-08
公開日2011-07-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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
2LS6
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BU of 2ls6 by Molmil
Solution NMR Structure of a Non-canonical galactose-binding CBM32 from Clostridium perfringens
分子名称: Hyaluronoglucosaminidase
著者Grondin, J.M, Chitayat, S, Ficko-Blean, E, Boraston, A.B, Smith, S.P.
登録日2012-04-20
公開日2013-05-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献An unusual mode of galactose recognition by a family 32 carbohydrate-binding module.
J.Mol.Biol., 426, 2014
2LTJ
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Conformational analysis of StrH, the surface-attached exo- beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae
分子名称: Beta-N-acetylhexosaminidase
著者Pluvinage, B, Chitayat, S, Ficko-Blean, E, Abbott, D, Kunjachen, J, Grondin, J, Spencer, H, Smith, S, Boraston, A.
登録日2012-05-28
公開日2012-11-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational analysis of StrH, the surface-attached exo-beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae.
J.Mol.Biol., 425, 2013
2M1U
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BU of 2m1u by Molmil
Solution structure of the small dictyostelium discoideium myosin light chain mlcb provides insights into iq-motif recognition of class i myosin myo1b
分子名称: myosin light chain MlcB
著者Liburd, J, Chitayat, S, Crawley, S.W, Denis, C.M, Cote, G.P, Smith, S.P.
登録日2012-12-06
公開日2013-12-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the small Dictyostelium discoideum myosin light chain MlcB provides insights into MyoB IQ motif recognition.
J.Biol.Chem., 289, 2014
2M8U
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Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC
分子名称: Myosin Light Chain, MlcC
著者Liburd, J.D, Miller, E, Langelaan, D, Chitayat, S, Crawley, S.W, Cote, G.P, Smith, S.P.
登録日2013-05-28
公開日2014-12-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Single-lobe Myosin Light Chain C in Complex with the Light Chain-binding Domains of Myosin-1C Provides Insights into Divergent IQ Motif Recognition.
J.Biol.Chem., 291, 2016
2MH0
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BU of 2mh0 by Molmil
Solution NMR structure of the p300 Taz2:ETAD1 complex
分子名称: Histone acetyltransferase p300, Transcription factor E2-alpha
著者Langelaan, D.N, Smith, S.P, Chitayat, S.
登録日2013-11-12
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into TAZ2 domain-mediated CBP/p300 recruitment by transactivation domain 1 of the lymphopoietic transcription factor E2A.
J.Biol.Chem., 295, 2020
4O21
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BU of 4o21 by Molmil
Product complex of metal-free PKAc, ATP-gamma-S and SP20.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
2YM4
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BU of 2ym4 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 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
著者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.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM6
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 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
著者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.
登録日2011-06-06
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011

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