3HUK
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![BU of 3huk by Molmil](/molmil-images/mine/3huk) | Benzylacetate in complex with T4 lysozyme L99A/M102Q | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-14 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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1ZMK
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![BU of 1zmk by Molmil](/molmil-images/mine/1zmk) | Crystal structure of human alpha-defensin-2 (variant Gly16-> D-ALA), P 42 21 2 space group | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 2 | Authors: | Lubkowski, J, Prahl, A, Lu, W. | Deposit date: | 2005-05-10 | Release date: | 2005-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids. J.Biol.Chem., 280, 2005
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1YYV
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![BU of 1yyv by Molmil](/molmil-images/mine/1yyv) | Putative transcriptional regulator ytfH from Salmonella typhimurium | Descriptor: | CHLORIDE ION, putative transcriptional regulator | Authors: | Osipiuk, J, Quartey, P, Lezondra, L, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-02-25 | Release date: | 2005-04-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray crystal structure of putative transcriptional regulator ytfH from Salmonella typhimurium. To be Published
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1Z2V
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![BU of 1z2v by Molmil](/molmil-images/mine/1z2v) | |
1ZMH
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![BU of 1zmh by Molmil](/molmil-images/mine/1zmh) | Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala) | Descriptor: | GLYCEROL, HEXAETHYLENE GLYCOL, Neutrophil defensin 2, ... | Authors: | Lubkowski, J, Prahl, A, Lu, W. | Deposit date: | 2005-05-10 | Release date: | 2005-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids. J.Biol.Chem., 280, 2005
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262L
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![BU of 262l by Molmil](/molmil-images/mine/262l) | |
258D
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![BU of 258d by Molmil](/molmil-images/mine/258d) | FACTORS AFFECTING SEQUENCE SELECTIVITY ON NOGALAMYCIN INTERCALATION: THE CRYSTAL STRUCTURE OF D(TGTACA)-NOGALAMYCIN | Descriptor: | ACETATE ION, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3'), NOGALAMYCIN, ... | Authors: | Smith, C.K, Brannigan, J.A, Moore, M.H. | Deposit date: | 1996-05-12 | Release date: | 1996-06-20 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Factors affecting DNA sequence selectivity of nogalamycin intercalation: the crystal structure of d(TGTACA)2-nogalamycin2. J.Mol.Biol., 263, 1996
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1Z13
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![BU of 1z13 by Molmil](/molmil-images/mine/1z13) | Crystal Structure of Bovine Low Molecular Weight PTPase Complexed with Molybdate | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase, MOLYBDATE ION | Authors: | Zhang, M, Zhou, M, Van Etten, R.L, Stauffacher, C.V. | Deposit date: | 2005-03-03 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Bovine Low Molecular Weight Phosphotyrosyl Phosphatase Complexed with the Transition State Analog Vanadate Biochemistry, 36, 1997
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1Y85
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![BU of 1y85 by Molmil](/molmil-images/mine/1y85) | |
1Y2M
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![BU of 1y2m by Molmil](/molmil-images/mine/1y2m) | Crystal structure of phenylalanine ammonia-lyase from yeast Rhododporidium toruloides | Descriptor: | Phenylalanine ammonia-lyase | Authors: | Wang, L, Gamez, A, Sarkissian, C.N, Straub, M, Patch, M.G, Han, G.W, Scriver, C.R, Stevens, R.C. | Deposit date: | 2004-11-22 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based chemical modification strategy for enzyme replacement treatment of phenylketonuria. Mol.Genet.Metab., 86, 2005
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3EBK
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![BU of 3ebk by Molmil](/molmil-images/mine/3ebk) | Crystal structure of major allergens, Bla g 4 from cockroaches | Descriptor: | Allergen Bla g 4 | Authors: | Tan, Y.W, Chan, S.L, Chew, F.T, Sivaraman, J, Mok, Y.K. | Deposit date: | 2008-08-28 | Release date: | 2008-12-02 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of two major allergens, Bla g 4 and Per a 4, from cockroaches and their IgE binding epitopes. J.Biol.Chem., 284, 2008
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3G2Z
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3G34
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![BU of 3g34 by Molmil](/molmil-images/mine/3g34) | CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | Authors: | Chen, Y, Shoichet, B.K. | Deposit date: | 2009-02-01 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G31
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![BU of 3g31 by Molmil](/molmil-images/mine/3g31) | CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1) | Descriptor: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | Authors: | Chen, Y, Shoichet, B.K. | Deposit date: | 2009-02-01 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G30
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3G32
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![BU of 3g32 by Molmil](/molmil-images/mine/3g32) | CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3) | Descriptor: | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | Authors: | Chen, Y, Shoichet, B.K. | Deposit date: | 2009-02-01 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G2Y
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![BU of 3g2y by Molmil](/molmil-images/mine/3g2y) | CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4) | Descriptor: | 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE | Authors: | Chen, Y, Shoichet, B.K. | Deposit date: | 2009-02-01 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery Nat.Chem.Biol., 5, 2009
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3G35
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![BU of 3g35 by Molmil](/molmil-images/mine/3g35) | |
2E3G
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![BU of 2e3g by Molmil](/molmil-images/mine/2e3g) | |
2E3F
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2VUG
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![BU of 2vug by Molmil](/molmil-images/mine/2vug) | The structure of an archaeal homodimeric RNA ligase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PAB1020, ... | Authors: | Brooks, M.A, Meslet-Cladiere, L, Graille, M, Kuhn, J, Blondeau, K, Myllykallio, H, van Tilbeurgh, H. | Deposit date: | 2008-05-26 | Release date: | 2008-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of an archaeal homodimeric ligase which has RNA circularization activity. Protein Sci., 17, 2008
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3EBW
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![BU of 3ebw by Molmil](/molmil-images/mine/3ebw) | Crystal structure of major allergens, Per a 4 from cockroaches | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Per a 4 allergen | Authors: | Tan, Y.W, Chan, S.L, Chew, F.T, Sivaraman, J, Mok, Y.K. | Deposit date: | 2008-08-28 | Release date: | 2008-12-02 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of two major allergens, Bla g 4 and Per a 4, from cockroaches and their IgE binding epitopes. J.Biol.Chem., 284, 2008
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2VRX
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![BU of 2vrx by Molmil](/molmil-images/mine/2vrx) | Structure of Aurora B kinase in complex with ZM447439 | Descriptor: | INNER CENTROMERE PROTEIN A, N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | Girdler, F, Sessa, F, Patercoli, S, Villa, F, Ridgway, E, Musacchio, A, Taylor, S.S. | Deposit date: | 2008-04-16 | Release date: | 2008-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular Basis of Drug Resistance in Aurora Kinases. Chem.Biol., 15, 2008
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3H1L
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![BU of 3h1l by Molmil](/molmil-images/mine/3h1l) | Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde, CARDIOLIPIN, ... | Authors: | Berry, E.A, Huang, L.S, Minagawa, N. | Deposit date: | 2009-04-12 | Release date: | 2010-01-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Ascochlorin is a novel, specific inhibitor of the mitochondrial cytochrome bc(1) complex. Biochim.Biophys.Acta, 1797, 2010
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2E3E
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![BU of 2e3e by Molmil](/molmil-images/mine/2e3e) | |