PDB: 47120 件ウェブページステータス検索Chemie searchBIRD

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5AGL	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid 分子名称: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2015-02-02 公開日 2015-04-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
1Y4K	Lipoxygenase-1 (Soybean) at 100K, N694G Mutant 分子名称: 1,2-ETHANEDIOL, ACETATE ION, FE (II) ION, ... 著者 Chruszcz, M, Segraves, E, Holman, T.R, Minor, W. 登録日 2004-12-01 公開日 2005-12-13 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly. Biochemistry, 45, 2006
5A29	Family 2 Pectate Lyase from Vibrio vulnificus 分子名称: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... 著者 McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. 登録日 2015-05-15 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
3V0X	Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-12-09 公開日 2012-12-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Bovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor To be Published
5A2X	Crystal structure of mtPAP in complex with CTP 分子名称: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN 著者 Lapkouski, M, Hallberg, B.M. 登録日 2015-05-26 公開日 2015-09-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype. Nucleic Acids Res., 43, 2015
3V12	Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-12-09 公開日 2012-12-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
2AJL	X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor 分子名称: 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 著者 Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. 登録日 2005-08-02 公開日 2005-11-08 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 16, 2006
5A7J	Crystal structure of INPP5B in complex with benzene 1,2,4,5- tetrakisphosphate 分子名称: (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, GLYCEROL, SULFATE ION, ... 著者 Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Nordlund, P. 登録日 2015-07-06 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family. Biochemistry, 55, 2016
5DG3	Structure of Pseudomonas aeruginosa LpxA in complex with UDP-3-O-(R-3-hydroxydecanoyl)-GlcNAc 分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine 著者 Smith, E.W, Chen, Y. 登録日 2015-08-27 公開日 2015-09-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
3V2K	Crystal structure of ribosome inactivating protein from momordica balsamina complexed with the product of RNA substrate adenosine triphosphate at 2.0 A resolution 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, GLYCEROL, ... 著者 Kushwaha, G.S, Pandey, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. 登録日 2011-12-12 公開日 2012-01-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Crystal structures of a type-1 ribosome inactivating protein from Momordica balsamina in the bound and unbound states. Biochim.Biophys.Acta, 1824, 2012
4ZYO	Crystal Structure of Human Integral Membrane Stearoyl-CoA Desaturase with Substrate 分子名称: Acyl-CoA desaturase, DODECYL-BETA-D-MALTOSIDE, STEAROYL-COENZYME A, ... 著者 Wang, H, Klein, M.G, Lane, W, Snell, G, Levin, I, Li, K, Zou, H, Sang, B.-C. 登録日 2015-05-21 公開日 2015-06-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Crystal structure of human stearoyl-coenzyme A desaturase in complex with substrate. Nat.Struct.Mol.Biol., 22, 2015
4ZZ5	X-ray crystal structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5 分子名称: 1,2-ETHANEDIOL, Glucanase/chitosanase, SULFATE ION 著者 Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T. 登録日 2015-05-22 公開日 2016-04-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase Biochem.J., 473, 2016
3UTU	High affinity inhibitor of human thrombin 分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... 著者 Baum, B, Steinmetzer, T, Heine, A, Klebe, G. 登録日 2011-11-26 公開日 2012-08-29 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling Chemmedchem, 7, 2012
2AN2	P332G, A333S Double mutant of the Bacillus subtilis Nitric Oxide Synthase 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, P332G A333S double mutant of Nitric Oxide Synthase from Bacillus subtilis, ... 著者 Pant, K, Crane, B.R. 登録日 2005-08-11 公開日 2006-08-29 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of a loose dimer: an intermediate in nitric oxide synthase assembly J.Mol.Biol., 352, 2005
3V4I	Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and AZTTP 分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... 著者 Das, K, Martinez, S.E, Arnold, E. 登録日 2011-12-15 公開日 2012-01-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7983 Å) 主引用文献 HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
5AK3	ligand complex structure of soluble epoxide hydrolase 分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, INDAN-2-AMINE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-02 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5CY0	Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of Bioactive Ts3 Toxin by Racemic Protein Crystallography 分子名称: GLYCEROL, Ts3 Toxin 著者 Dang, B, Kubota, T, Mandal, K, Correa, A.M, Bezanilla, F, Kent, S.B. 登録日 2015-07-29 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Elucidation of the Covalent and Tertiary Structures of Biologically Active Ts3 Toxin. Angew.Chem.Int.Ed.Engl., 55, 2016
3UXI	Crystal structure of L-rhamnose isomerase W38A mutant from Bacillus halodurans 分子名称: L-Rhamnose isomerase, MANGANESE (II) ION 著者 Doan, T.T.N, Prabhu, P, Kim, J.K, Jeya, M, Kang, L.W, Lee, J.K. 登録日 2011-12-05 公開日 2012-12-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Structure-based studies on the metal binding of two-metal-dependent sugar isomerases. Febs J., 281, 2014
5D3Y	Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound 分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein 著者 Cash, J.N, Tesmer, J.J.G. 登録日 2015-08-06 公開日 2016-04-20 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
5AIB	ligand complex structure of soluble epoxide hydrolase 分子名称: 6-chloro-2H-1,4-benzoxazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
2ATI	Glycogen Phosphorylase Inhibitors 分子名称: Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... 著者 Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.J, Herling, A.W, Oikonomakos, N.G, Schmoll, D, Sarubbi, E, von Roedern, E, Schoenafinger, K, Defossa, E. 登録日 2005-08-25 公開日 2006-08-25 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. J.Med.Chem., 48, 2005
5ALH	ligand complex structure of soluble epoxide hydrolase 分子名称: 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-08 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5CVB	Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a1a1a1 of type I collagen 分子名称: Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-2(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, ... 著者 Boudko, S.P, Bachinger, H.P. 登録日 2015-07-25 公開日 2016-08-10 最終更新日 2017-07-12 実験手法 X-RAY DIFFRACTION (2.249 Å) 主引用文献 Structural insight for chain selection and stagger control in collagen. Sci Rep, 6, 2016
5ALF	ligand complex structure of soluble epoxide hydrolase 分子名称: 2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-08 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AKI	ligand complex structure of soluble epoxide hydrolase 分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-03 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015

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