4O0J
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![BU of 4o0j by Molmil](/molmil-images/mine/4o0j) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kvaratskhelia, M. | Deposit date: | 2013-12-13 | Release date: | 2014-07-02 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
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1LLH
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![BU of 1llh by Molmil](/molmil-images/mine/1llh) | ARE CARBOXY TERMINII OF HELICES CODED BY THE LOCAL SEQUENCE OR BY TERTIARY STRUCTURE CONTACTS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | Authors: | Sagermann, M, Martensson, L.-G, Baase, W.A, Matthews, B.W. | Deposit date: | 2002-04-28 | Release date: | 2002-05-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A test of proposed rules for helix capping: Implications for protein design Protein Sci., 11, 2002
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1LLW
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![BU of 1llw by Molmil](/molmil-images/mine/1llw) | Structural studies on the synchronization of catalytic centers in glutamate synthase: complex with 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | van den Heuvel, R.H, Ferrari, D, Bossi, R.T, Ravasio, S, Curti, B, Vanoni, M.A, Florencio, F.J, Mattevi, A. | Deposit date: | 2002-04-30 | Release date: | 2002-07-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies on the synchronization of catalytic centers in glutamate synthase J.BIOL.CHEM., 277, 2002
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1LMQ
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![BU of 1lmq by Molmil](/molmil-images/mine/1lmq) | |
1GVG
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![BU of 1gvg by Molmil](/molmil-images/mine/1gvg) | Crystal Structure of Clavaminate Synthase with Nitric Oxide | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, DEOXYGUANIDINOPROCLAVAMINIC ACID, ... | Authors: | Zhang, Z.H, Ren, J, McKinnon, C.H, Clifton, I.J, Harlos, K, Schofield, C.J. | Deposit date: | 2002-02-12 | Release date: | 2003-02-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements FEBS Lett., 517, 2002
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1GYG
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![BU of 1gyg by Molmil](/molmil-images/mine/1gyg) | |
3BZC
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![BU of 3bzc by Molmil](/molmil-images/mine/3bzc) | |
1L01
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![BU of 1l01 by Molmil](/molmil-images/mine/1l01) | |
1LPI
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![BU of 1lpi by Molmil](/molmil-images/mine/1lpi) | HEW LYSOZYME: TRP...NA CATION-PI INTERACTION | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Wouters, J. | Deposit date: | 1998-04-15 | Release date: | 1998-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cation-pi (Na+-Trp) interactions in the crystal structure of tetragonal lysozyme. Protein Sci., 7, 1998
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1L07
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![BU of 1l07 by Molmil](/molmil-images/mine/1l07) | |
2CST
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1L08
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1LTV
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![BU of 1ltv by Molmil](/molmil-images/mine/1ltv) | CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM PHENYLALANINE HYDROXYLASE, STRUCTURE WITH BOUND OXIDIZED Fe(III) | Descriptor: | FE (III) ION, PHENYLALANINE-4-HYDROXYLASE | Authors: | Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C. | Deposit date: | 2002-05-20 | Release date: | 2002-07-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates. J.Mol.Biol., 320, 2002
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1H4G
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![BU of 1h4g by Molmil](/molmil-images/mine/1h4g) | Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre | Descriptor: | SULFATE ION, XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J. | Deposit date: | 2001-05-11 | Release date: | 2002-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol., 6, 1999
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1KXW
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![BU of 1kxw by Molmil](/molmil-images/mine/1kxw) | |
1GUI
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![BU of 1gui by Molmil](/molmil-images/mine/1gui) | CBM4 structure and function | Descriptor: | CALCIUM ION, GLYCEROL, LAMINARINASE 16A, ... | Authors: | Nurizzo, D, Notenboom, V, Davies, G.J. | Deposit date: | 2002-01-27 | Release date: | 2002-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules J.Mol.Biol., 319, 2002
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1L19
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1L1Q
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![BU of 1l1q by Molmil](/molmil-images/mine/1l1q) | Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine | Descriptor: | 9-DEAZAADENINE, Adenine phosphoribosyltransferase, SULFATE ION | Authors: | Shi, W, Sarver, A.E, Wang, C.C, Tanaka, K.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2002-02-19 | Release date: | 2002-11-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia
Reveal a Mechanism of Ribosyl Migration. J.Biol.Chem., 277, 2002
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1L25
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1L22
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![BU of 1l22 by Molmil](/molmil-images/mine/1l22) | |
1GZ4
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![BU of 1gz4 by Molmil](/molmil-images/mine/1gz4) | molecular mechanism of the regulation of human mitochondrial NAD(P)+-dependent malic enzyme by ATP and fumarate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FUMARIC ACID, MANGANESE (II) ION, ... | Authors: | Yang, Z, Lanks, C.W, Tong, L. | Deposit date: | 2002-05-15 | Release date: | 2002-07-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Mechanism for the Regulation of Human Mitochondrial Nad(P)(+)-Dependent Malic Enzyme by ATP and Fumarate Structure, 10, 2002
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1L2C
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![BU of 1l2c by Molmil](/molmil-images/mine/1l2c) | MutM (Fpg)-DNA Estranged Thymine Mismatch Recognition Complex | Descriptor: | 5'-D(*AP*G*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*AP*(HPD)P*GP*TP*CP*TP*AP*CP*C)-3', MutM, ... | Authors: | Fromme, J.C, Verdine, G.L. | Deposit date: | 2002-02-20 | Release date: | 2002-06-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol., 9, 2002
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3BM9
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![BU of 3bm9 by Molmil](/molmil-images/mine/3bm9) | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | Descriptor: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | Deposit date: | 2007-12-12 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-12 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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1L31
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![BU of 1l31 by Molmil](/molmil-images/mine/1l31) | |