4LWC
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![BU of 4lwc by Molmil](/molmil-images/mine/4lwc) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-07-26 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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4HJX
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![BU of 4hjx by Molmil](/molmil-images/mine/4hjx) | Crystal structure of F2YRS complexed with F2Y | Descriptor: | 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | Deposit date: | 2012-10-14 | Release date: | 2013-03-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation. Angew.Chem.Int.Ed.Engl., 52, 2013
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3F7I
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![BU of 3f7i by Molmil](/molmil-images/mine/3f7i) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2008-11-09 | Release date: | 2009-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
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1NKZ
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![BU of 1nkz by Molmil](/molmil-images/mine/1nkz) | Crystal structure of LH2 B800-850 from Rps. acidophila at 2.0 Angstrom resolution | Descriptor: | BACTERIOCHLOROPHYLL A, BENZAMIDINE, Light-harvesting protein B-800/850, ... | Authors: | Papiz, M.Z, Prince, S.M, Howard, T, Cogdell, R.J, Isaacs, N.W. | Deposit date: | 2003-01-06 | Release date: | 2003-02-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure and thermal motion of the B800-850 LH2 complex from Rps. acidophila at 2.0 A resolution and 100K : new structural features and functionally relevant motions. J.Mol.Biol., 326, 2003
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3FAL
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![BU of 3fal by Molmil](/molmil-images/mine/3fal) | humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186 | Descriptor: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L. | Deposit date: | 2008-11-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J.Med.Chem., 51, 2008
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1JME
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![BU of 1jme by Molmil](/molmil-images/mine/1jme) | Crystal Structure of Phe393His Cytochrome P450 BM3 | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Munro, A.W, Mowat, C.G, Pesseguiero, A, Fulco, A.J, Cho, A.K, Cheesman, M.A, Walkinshaw, M.D, Chapman, S.K. | Deposit date: | 2001-07-18 | Release date: | 2001-11-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and spectroscopic analysis of the F393H mutant of flavocytochrome P450 BM3. Biochemistry, 40, 2001
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3FEH
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![BU of 3feh by Molmil](/molmil-images/mine/3feh) | Crystal structure of full length centaurin alpha-1 | Descriptor: | Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-29 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IO7
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![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-13 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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3FFC
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![BU of 3ffc by Molmil](/molmil-images/mine/3ffc) | Crystal Structure of CF34 TCR in complex with HLA-B8/FLR | Descriptor: | Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ... | Authors: | Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J. | Deposit date: | 2008-12-03 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The shaping of T cell receptor recognition by self-tolerance. Immunity, 30, 2009
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8I79
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![BU of 8i79 by Molmil](/molmil-images/mine/8i79) | Cryo-EM structure of KCTD7 in complex with Cullin3 | Descriptor: | BTB/POZ domain-containing protein KCTD7, Cullin-3 | Authors: | Jiang, W, Wang, W, Zheng, S. | Deposit date: | 2023-01-31 | Release date: | 2023-07-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase. Sci Adv, 9, 2023
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4M9Y
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![BU of 4m9y by Molmil](/molmil-images/mine/4m9y) | Crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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5ELZ
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![BU of 5elz by Molmil](/molmil-images/mine/5elz) | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-05 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. Acs Infect Dis., 2, 2016
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1NIF
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![BU of 1nif by Molmil](/molmil-images/mine/1nif) | THE STRUCTURE OF CU-NITRITE REDUCTASE FROM ACHROMOBACTER CYCLOCLASTES AT FIVE PH VALUES, WITH NITRITE BOUND AND WITH TYPE II CU DEPLETED | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE | Authors: | Adman, E.T, Godden, J.W, Turley, S. | Deposit date: | 1995-07-03 | Release date: | 1995-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of copper-nitrite reductase from Achromobacter cycloclastes at five pH values, with NO2- bound and with type II copper depleted. J.Biol.Chem., 270, 1995
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1NIB
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![BU of 1nib by Molmil](/molmil-images/mine/1nib) | THE STRUCTURE OF CU-NITRITE REDUCTASE FROM ACHROMOBACTER CYCLOCLASTES AT FIVE PH VALUES, WITH NITRITE BOUND AND WITH TYPE II CU DEPLETED | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE | Authors: | Adman, E.T, Godden, J.W, Turley, S. | Deposit date: | 1995-07-03 | Release date: | 1995-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of copper-nitrite reductase from Achromobacter cycloclastes at five pH values, with NO2- bound and with type II copper depleted. J.Biol.Chem., 270, 1995
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4MHA
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![BU of 4mha by Molmil](/molmil-images/mine/4mha) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
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3IIY
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![BU of 3iiy by Molmil](/molmil-images/mine/3iiy) | Crystal structure of Eed in complex with a trimethylated histone H1K26 peptide | Descriptor: | Histone H1K26 peptide, Polycomb protein EED | Authors: | Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J. | Deposit date: | 2009-08-03 | Release date: | 2009-09-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Role of the polycomb protein EED in the propagation of repressive histone marks. Nature, 461, 2009
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4LUZ
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![BU of 4luz by Molmil](/molmil-images/mine/4luz) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-07-25 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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1K18
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![BU of 1k18 by Molmil](/molmil-images/mine/1k18) | |
4LVA
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![BU of 4lva by Molmil](/molmil-images/mine/4lva) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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1NCJ
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![BU of 1ncj by Molmil](/molmil-images/mine/1ncj) | N-CADHERIN, TWO-DOMAIN FRAGMENT | Descriptor: | CALCIUM ION, PROTEIN (N-CADHERIN), URANYL (VI) ION | Authors: | Tamura, K, Shan, W.-S, Hendrickson, W.A, Colman, D.R, Shapiro, L. | Deposit date: | 1999-02-02 | Release date: | 1999-03-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-function analysis of cell adhesion by neural (N-) cadherin. Neuron, 20, 1998
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4QDQ
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![BU of 4qdq by Molmil](/molmil-images/mine/4qdq) | Physical basis for Nrp2 ligand binding | Descriptor: | GLYCEROL, Neuropilin-2, SULFATE ION | Authors: | Parker, M.W, Vander Kooi, C.W. | Deposit date: | 2014-05-14 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for VEGF-C Binding to Neuropilin-2 and Sequestration by a Soluble Splice Form. Structure, 23, 2015
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5YOF
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![BU of 5yof by Molmil](/molmil-images/mine/5yof) | |
4PXZ
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![BU of 4pxz by Molmil](/molmil-images/mine/4pxz) | Crystal structure of P2Y12 receptor in complex with 2MeSADP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ... | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2014-03-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Agonist-bound structure of the human P2Y12 receptor Nature, 509, 2014
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7OHF
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![BU of 7ohf by Molmil](/molmil-images/mine/7ohf) | Cryo-EM structure of pyrococcus furiosus apoferritin in nanofluidic channels | Descriptor: | Ferritin | Authors: | Huber, S.T, Sarajlic, E, Huijink, R, Evers, W.H, Jakobi, A.J. | Deposit date: | 2021-05-10 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Nanofluidic chips for cryo-EM structure determination from picoliter sample volumes. Elife, 11, 2022
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7O0A
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![BU of 7o0a by Molmil](/molmil-images/mine/7o0a) | Bdellovibrio bacteriovorus PGI in P1211 spacegroup | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glucose-6-phosphate isomerase | Authors: | Meek, R.W, Lovering, A.L. | Deposit date: | 2021-03-26 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding. Open Biology, 11, 2021
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