1BLK
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![BU of 1blk by Molmil](/molmil-images/mine/1blk) | NMR ENSEMBLE OF BLK SH2 DOMAIN USING CHEMICAL SHIFT REFINEMENT, 20 STRUCTURES | Descriptor: | P55 BLK PROTEIN TYROSINE KINASE | Authors: | Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T. | Deposit date: | 1996-03-26 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of the SH2 domain from p55blk kinase. Biochemistry, 35, 1996
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1B9V
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![BU of 1b9v by Molmil](/molmil-images/mine/1b9v) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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1CQO
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1BLJ
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![BU of 1blj by Molmil](/molmil-images/mine/1blj) | NMR ENSEMBLE OF BLK SH2 DOMAIN, 20 STRUCTURES | Descriptor: | P55 BLK PROTEIN TYROSINE KINASE | Authors: | Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T. | Deposit date: | 1996-03-26 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of the SH2 domain from p55blk kinase. Biochemistry, 35, 1996
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1AW0
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![BU of 1aw0 by Molmil](/molmil-images/mine/1aw0) | |
1CTR
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![BU of 1ctr by Molmil](/molmil-images/mine/1ctr) | |
7ETX
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![BU of 7etx by Molmil](/molmil-images/mine/7etx) | |
7ETY
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![BU of 7ety by Molmil](/molmil-images/mine/7ety) | |
1L0I
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![BU of 1l0i by Molmil](/molmil-images/mine/1l0i) | Crystal structure of butyryl-ACP I62M mutant | Descriptor: | Acyl carrier protein, CACODYLATE ION, SODIUM ION, ... | Authors: | Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B. | Deposit date: | 2002-02-11 | Release date: | 2003-02-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray Crystallographic Studies on Butyryl-ACP Reveal Flexibility of the Structure around a Putative Acyl Chain Binding Site Structure, 10, 2002
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1L0H
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![BU of 1l0h by Molmil](/molmil-images/mine/1l0h) | CRYSTAL STRUCTURE OF BUTYRYL-ACP FROM E.COLI | Descriptor: | ACYL CARRIER PROTEIN, ZINC ION | Authors: | Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B. | Deposit date: | 2002-02-11 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic studies on butyryl-ACP reveal flexibility of the structure around a putative acyl chain binding site Structure, 10, 2002
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1KMX
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![BU of 1kmx by Molmil](/molmil-images/mine/1kmx) | |
1MGS
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4K00
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![BU of 4k00 by Molmil](/molmil-images/mine/4k00) | Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis | Descriptor: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase | Authors: | Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A. | Deposit date: | 2013-04-03 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis. Acta Crystallogr.,Sect.D, 69, 2013
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4LMY
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![BU of 4lmy by Molmil](/molmil-images/mine/4lmy) | Structure of GAS PerR-Zn-Zn | Descriptor: | Peroxide stress regulator PerR, FUR family, ZINC ION | Authors: | Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S. | Deposit date: | 2013-07-11 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding Plos One, 9, 2014
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4LW1
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![BU of 4lw1 by Molmil](/molmil-images/mine/4lw1) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-(3-chloro-4-fluorophenyl)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 (1.631 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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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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4LIL
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![BU of 4lil by Molmil](/molmil-images/mine/4lil) | Crystal structure of the catalytic subunit of human primase bound to UTP and Mn | Descriptor: | DNA primase small subunit, MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Vaithiyalingam, S, Eichman, B.F, Chazin, W.J. | Deposit date: | 2013-07-02 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase. J.Mol.Biol., 426, 2014
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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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4LXO
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![BU of 4lxo by Molmil](/molmil-images/mine/4lxo) | Crystal structure of 9,10Fn3-elegantin chimera | Descriptor: | CALCIUM ION, Fibronectin | Authors: | Chang, Y.S, Shiu, J.H, Chuang, W.J. | Deposit date: | 2013-07-30 | Release date: | 2014-08-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Design, Structure Determination, and Biological Evaluation of Potent Integrin Alpha5beta1-Specific Antagonist Using the Ninth and Tenth Module of Fibronectin Type III Domain To be Published
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4M1C
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![BU of 4m1c by Molmil](/molmil-images/mine/4m1c) | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40) | Descriptor: | Amyloid beta A4 protein, Fab-bound IDE, heavy chain, ... | Authors: | McCord, L.M, Liang, W, Farcasanu, M, Scherpelz, K, Meredith, S.C, Koide, S, Tang, W.J. | Deposit date: | 2013-08-02 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5007 Å) | Cite: | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40) To be Published
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4MPN
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![BU of 4mpn by Molmil](/molmil-images/mine/4mpn) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10 | Descriptor: | 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-13 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
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4M4C
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![BU of 4m4c by Molmil](/molmil-images/mine/4m4c) | Crystal structure of Rhodostomin ARGDP mutant | Descriptor: | SULFATE ION, Zinc metalloproteinase/disintegrin | Authors: | Chang, Y.T, Jeng, W.Y, Shiu, J.H, Chen, C.Y, Chuang, W.J. | Deposit date: | 2013-08-07 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effect of C-terminal proline residue adjacent to the RGD motif in rhodostomin on its activity and structure To be Published
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4MW2
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![BU of 4mw2 by Molmil](/molmil-images/mine/4mw2) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472) | Descriptor: | 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MP7
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![BU of 4mp7 by Molmil](/molmil-images/mine/4mp7) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
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4MW7
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![BU of 4mw7 by Molmil](/molmil-images/mine/4mw7) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) | Descriptor: | 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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