2ZVT
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![BU of 2zvt by Molmil](/molmil-images/mine/2zvt) | Cys285Ser mutant PPARgamma ligand-binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2 | 分子名称: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Waku, T, Oyama, T, Shiraki, T, Morikawa, K. | 登録日 | 2008-11-19 | 公開日 | 2009-10-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Atomic structure of mutant PPARgamma LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARgamma/RXRalpha function by covalently bound ligands Febs Lett., 583, 2009
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2VQE
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![BU of 2vqe by Molmil](/molmil-images/mine/2vqe) | Modified uridines with C5-methylene substituents at the first position of the tRNA anticodon stabilize U-G wobble pairing during decoding | 分子名称: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | 著者 | Kurata, S, Weixlbaumer, A, Ohtsuki, T, Shimazaki, T, Wada, T, Kirino, Y, Takai, K, Watanabe, K, Ramakrishnan, V, Suzuki, T. | 登録日 | 2008-03-13 | 公開日 | 2008-04-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Modified Uridines with C5-Methylene Substituents at the First Position of the tRNA Anticodon Stabilize U.G Wobble Pairing During Decoding. J.Biol.Chem., 283, 2008
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3LJZ
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![BU of 3ljz by Molmil](/molmil-images/mine/3ljz) | Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound | 分子名称: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Shieh, H.-S, Kiefer, J.R. | 登録日 | 2010-01-26 | 公開日 | 2011-02-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure analysis reveals the flexibility of the ADAMTS-5 active site. Protein Sci., 20, 2011
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2W0K
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3C8K
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![BU of 3c8k by Molmil](/molmil-images/mine/3c8k) | The crystal structure of Ly49C bound to H-2Kb | 分子名称: | H-2 class I histocompatibility antigen, K-B alpha chain, Natural killer cell receptor Ly-49C, ... | 著者 | Deng, L, Mariuzza, R.A. | 登録日 | 2008-02-12 | 公開日 | 2008-04-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Molecular architecture of the major histocompatibility complex class I-binding site of Ly49 natural killer cell receptors. J.Biol.Chem., 283, 2008
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3CE6
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![BU of 3ce6 by Molmil](/molmil-images/mine/3ce6) | Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and adenosine | 分子名称: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | 登録日 | 2008-02-28 | 公開日 | 2008-09-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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2HKD
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3CBM
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![BU of 3cbm by Molmil](/molmil-images/mine/3cbm) | SET7/9-ER-AdoMet complex | 分子名称: | BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ... | 著者 | Cheng, X, Jia, D. | 登録日 | 2008-02-22 | 公開日 | 2008-05-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase. Mol.Cell, 30, 2008
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3CCW
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![BU of 3ccw by Molmil](/molmil-images/mine/3ccw) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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3CDG
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![BU of 3cdg by Molmil](/molmil-images/mine/3cdg) | Human CD94/NKG2A in complex with HLA-E | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | 著者 | Petrie, E.J, Clements, C.S, Lin, J, Sullivan, L.C, Johnson, D, Huyton, T, Heroux, A, Hoare, H.L, Beddoe, T, Reid, H.H, Wilce, M.C.J, Brooks, A.G, Rossjohn, J. | 登録日 | 2008-02-26 | 公開日 | 2008-04-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | CD94-NKG2A recognition of human leukocyte antigen (HLA)-E bound to an HLA class I leader sequence J.Exp.Med., 205, 2008
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3CAL
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3CD0
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![BU of 3cd0 by Molmil](/molmil-images/mine/3cd0) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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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3CD7
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![BU of 3cd7 by Molmil](/molmil-images/mine/3cd7) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 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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3CDB
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![BU of 3cdb by Molmil](/molmil-images/mine/3cdb) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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3KGP
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![BU of 3kgp by Molmil](/molmil-images/mine/3kgp) | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | 分子名称: | 4-(aminomethyl)benzoic acid, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Jiang, L.-G, Zhao, G.-X, Bian, X.-B, Yuan, C, Huang, Z.-X, Huang, M.-D. | 登録日 | 2009-10-29 | 公開日 | 2009-12-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol CHIN.J.STRUCT.CHEM., 28, 2009
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3KME
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![BU of 3kme by Molmil](/molmil-images/mine/3kme) | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | 分子名称: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | 著者 | Orth, P. | 登録日 | 2009-11-10 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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2WPL
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![BU of 2wpl by Molmil](/molmil-images/mine/2wpl) | factor IXa superactive triple mutant, EDTA-soaked | 分子名称: | COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, D-PHE-PRO-ARG-CHLOROMETHYL KETONE | 著者 | Zogg, T, Brandstetter, H. | 登録日 | 2009-08-06 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa Structure, 17, 2009
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3KKU
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![BU of 3kku by Molmil](/molmil-images/mine/3kku) | Cruzain in complex with a non-covalent ligand | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... | 著者 | Ferreira, R.S, Eidam, O, Shoichet, B.K. | 登録日 | 2009-11-06 | 公開日 | 2010-07-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
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3L38
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![BU of 3l38 by Molmil](/molmil-images/mine/3l38) | Bace1 in complex with the aminopyridine Compound 44 | 分子名称: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | 著者 | Olland, A.M, Chopra, R. | 登録日 | 2009-12-16 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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2X1E
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![BU of 2x1e by Molmil](/molmil-images/mine/2x1e) | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid | 分子名称: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACYL-COENZYME, CHLORIDE ION, ... | 著者 | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | 登録日 | 2009-12-23 | 公開日 | 2010-03-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme. Structure, 18, 2010
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3KEK
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![BU of 3kek by Molmil](/molmil-images/mine/3kek) | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | 分子名称: | CALCIUM ION, Collagenase 3, ZINC ION, ... | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | 登録日 | 2009-10-26 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg.Med.Chem.Lett., 20, 2009
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3KEJ
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![BU of 3kej by Molmil](/molmil-images/mine/3kej) | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | 分子名称: | 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | 登録日 | 2009-10-26 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg.Med.Chem.Lett., 20, 2010
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3APM
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![BU of 3apm by Molmil](/molmil-images/mine/3apm) | Crystal structure of the human SNP PAD4 protein | 分子名称: | Protein-arginine deiminase type-4 | 著者 | Horikoshi, N, Tachiwana, H, Saito, K, Osakabe, A, Sato, M, Yamada, M, Akashi, S, Nishimura, Y, Kagawa, W, Kurumizaka, H. | 登録日 | 2010-10-19 | 公開日 | 2011-01-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and biochemical analyses of the human PAD4 variant encoded by a functional haplotype gene Acta Crystallogr.,Sect.D, 67, 2011
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2WYJ
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![BU of 2wyj by Molmil](/molmil-images/mine/2wyj) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | 分子名称: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | 著者 | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | 登録日 | 2009-11-16 | 公開日 | 2010-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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3KJQ
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![BU of 3kjq by Molmil](/molmil-images/mine/3kjq) | Caspase 8 with covalent inhibitor | 分子名称: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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