1Z5R
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![BU of 1z5r by Molmil](/molmil-images/mine/1z5r) | Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B | Descriptor: | ZINC ION, procarboxypeptidase B | Authors: | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | Deposit date: | 2005-03-18 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b. Biochemistry, 44, 2005
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1Z8L
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![BU of 1z8l by Molmil](/molmil-images/mine/1z8l) | Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davis, M.I, Bennett, M.J, Thomas, L.M, Bjorkman, P.J. | Deposit date: | 2005-03-30 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase Proc.Natl.Acad.Sci.USA, 102, 2005
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3CDA
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![BU of 3cda by Molmil](/molmil-images/mine/3cda) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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1ZD3
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![BU of 1zd3 by Molmil](/molmil-images/mine/1zd3) | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
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2HX4
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![BU of 2hx4 by Molmil](/molmil-images/mine/2hx4) | Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide | Descriptor: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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2HX2
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![BU of 2hx2 by Molmil](/molmil-images/mine/2hx2) | Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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2HX3
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![BU of 2hx3 by Molmil](/molmil-images/mine/2hx3) | Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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1ZEX
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![BU of 1zex by Molmil](/molmil-images/mine/1zex) | CCG A-DNA | Descriptor: | 5'-D(*CP*CP*CP*GP*GP*CP*CP*GP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-19 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZF2
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![BU of 1zf2 by Molmil](/molmil-images/mine/1zf2) | Four-stranded DNA Holliday Junction (CCC) | Descriptor: | 5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-19 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZFC
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![BU of 1zfc by Molmil](/molmil-images/mine/1zfc) | ATC Duplex B-DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*TP*AP*TP*CP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-20 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2ZPD
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![BU of 2zpd by Molmil](/molmil-images/mine/2zpd) | Crystal structure of the R43L mutant of LolA in the open form | Descriptor: | Outer-membrane lipoprotein carrier protein | Authors: | Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K. | Deposit date: | 2008-07-10 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release. J.Biol.Chem., 283, 2008
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1ZGN
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![BU of 1zgn by Molmil](/molmil-images/mine/1zgn) | Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, GLUTATHIONE, ... | Authors: | Parker, L.J, Adams, J.J, Parker, M.W. | Deposit date: | 2005-04-21 | Release date: | 2005-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nitrosylation of human glutathione transferase P1-1 with dinitrosyl diglutathionyl iron complex in vitro and in vivo J.Biol.Chem., 280, 2005
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2HXK
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4CGA
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![BU of 4cga by Molmil](/molmil-images/mine/4cga) | Human choline kinase a1 in complex with compound 5 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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2Z2L
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2HVH
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![BU of 2hvh by Molmil](/molmil-images/mine/2hvh) | ddCTP:O6MeG pair in the polymerase active site (0 position) | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*A*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HVI
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![BU of 2hvi by Molmil](/molmil-images/mine/2hvi) | ddCTP:G pair in the polymerase active site (0 position) | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*C*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HW3
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![BU of 2hw3 by Molmil](/molmil-images/mine/2hw3) | T:O6-methyl-guanine pair in the polymerase postinsertion site (-1 basepair position) | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*T)-3', 5'-D(*GP*TP*A*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA Polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-31 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2ZMC
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![BU of 2zmc by Molmil](/molmil-images/mine/2zmc) | Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | Authors: | Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L. | Deposit date: | 2008-04-16 | Release date: | 2008-05-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125. J.Biol.Chem., 283, 2008
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3LK1
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![BU of 3lk1 by Molmil](/molmil-images/mine/3lk1) | X-ray structure of bovine SC0322,Ca(2+)-S100B | Descriptor: | 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ... | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | Deposit date: | 2010-01-26 | Release date: | 2010-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction. Int J High Throughput Screen, 2010, 2010
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2JUS
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3CEJ
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![BU of 3cej by Molmil](/molmil-images/mine/3cej) | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865 | Descriptor: | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ... | Authors: | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | Deposit date: | 2008-02-29 | Release date: | 2008-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
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3L6R
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![BU of 3l6r by Molmil](/molmil-images/mine/3l6r) | The structure of mammalian serine racemase: Evidence for conformational changes upon inhibitor binding | Descriptor: | MALONATE ION, MANGANESE (II) ION, Serine racemase | Authors: | Smith, M.A, Mack, V, Ebneth, A, Cesura, A, Felicetti, B, Barker, J. | Deposit date: | 2009-12-24 | Release date: | 2010-01-26 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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3CHQ
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![BU of 3chq by Molmil](/molmil-images/mine/3chq) | Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine | Descriptor: | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | Deposit date: | 2008-03-10 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg.Med.Chem., 16, 2008
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3CG5
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![BU of 3cg5 by Molmil](/molmil-images/mine/3cg5) | |