PDB: 45118 件ウェブページステータス検索Chemie searchBIRD

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5IF6	Structure of a computationally designed 17-OHP binder 分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION 著者 Stoddard, B.L, Doyle, L.A. 登録日 2016-02-25 公開日 2017-03-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 Sampling and energy evaluation challenges in ligand binding protein design. Protein Sci., 26, 2017
3DEB	Crystal Structure of apo form (Zinc removed) of the Botulinum Neurotoxin Type C Light Chain 分子名称: ACETATE ION, Botulinum neurotoxin C1 light chain, CALCIUM ION, ... 著者 Rawat, R, Kumaran, D, Swaminathan, S. 登録日 2008-06-09 公開日 2009-04-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal Structure of apo form (Zinc removed) of the Botulinum Neurotoxin Type C Light Chain To be Published
5IIK	Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating 8-oxo-dG and incorporated dC 分子名称: CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ... 著者 Burak, M.J, Guja, K.E, Garcia-Diaz, M. 登録日 2016-03-01 公開日 2016-08-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.982 Å) 主引用文献 A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
5IMC	Xanthomonas campestris Peroxiredoxin Q - Structure F3 分子名称: Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION 著者 Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. 登録日 2016-03-06 公開日 2016-09-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
5IO0	Xanthomonas campestris Peroxiredoxin Q - Structure F9 分子名称: Bacterioferritin comigratory protein, SODIUM ION 著者 Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. 登録日 2016-03-08 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
8P4T	The spike complex of the Lujo Virus 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ... 著者 Eilon-Ashkenazy, M, Diskin, R. 登録日 2023-05-23 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.96 Å) 主引用文献 The spike complex of the Lujo Virus To Be Published
5IOW	Xanthomonas campestris Peroxiredoxin Q - Structure FFcumene (Hyperoxidized by cumene hydroperoxide) 分子名称: Bacterioferritin comigratory protein, SODIUM ION 著者 Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. 登録日 2016-03-09 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
7AWE	HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid 分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... 著者 Musil, D, Klein, M. 登録日 2020-11-06 公開日 2021-06-09 最終更新日 2021-08-11 実験手法 X-RAY DIFFRACTION (2.288 Å) 主引用文献 M3258 Is a Selective Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i) Delivering Efficacy in Multiple Myeloma Models. Mol.Cancer Ther., 20, 2021
4I33	Crystal structure of HCV NS3/4A R155K protease complexed with compound 4 分子名称: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... 著者 Lemke, C.T. 登録日 2012-11-23 公開日 2013-01-02 最終更新日 2013-03-13 実験手法 X-RAY DIFFRACTION (1.9001 Å) 主引用文献 Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
4HUR	Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A 分子名称: 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... 著者 Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-11-03 公開日 2012-11-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA. Antimicrob.Agents Chemother., 58, 2014
1JED	Crystal Structure of ATP Sulfurylase in complex with ADP 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Ullrich, T.C, Huber, R. 登録日 2001-06-17 公開日 2001-11-14 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 The complex structures of ATP sulfurylase with thiosulfate, ADP and chlorate reveal new insights in inhibitory effects and the catalytic cycle. J.Mol.Biol., 313, 2001
5J0O	Binary complex crystal structure of DNA polymerase Beta with A:A mismatch at the primer terminus 分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*AP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-28 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016
7B2C	Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum gassed with xenon 分子名称: (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Wagner, T, Lemaire, O.N, Engilberge, S. 登録日 2020-11-26 公開日 2021-07-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
5J0W	Binary complex crystal structure of DNA polymerase Beta with T:C mismatch at the primer terminus 分子名称: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-28 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016
5IU8	Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... 著者 Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. 登録日 2016-03-17 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
4I26	2.20 Angstroms X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens 分子名称: 1,2-ETHANEDIOL, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION 著者 Davis, I, Huo, L, Chen, L, Liu, A. 登録日 2012-11-21 公開日 2014-05-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.204 Å) 主引用文献 Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
4I31	Crystal structure of HCV NS3/NS4A protease complexed with compound 4 分子名称: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... 著者 Lemke, C.T. 登録日 2012-11-23 公開日 2013-01-02 最終更新日 2013-03-13 実験手法 X-RAY DIFFRACTION (1.9301 Å) 主引用文献 Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
5J2K	Ternary complex crystal structure of DNA polymerase Beta with T:T mismatch at the primer terminus 分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-29 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016
5J2Z	PRV UL37 N-terminal half (R2 mutant) 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, CALCIUM ION, ... 著者 Heldwein, E.E, Pitts, J.D. 登録日 2016-03-30 公開日 2017-10-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The pUL37 tegument protein guides alpha-herpesvirus retrograde axonal transport to promote neuroinvasion. PLoS Pathog., 13, 2017
5J4K	Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid 分子名称: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ... 著者 Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. 登録日 2016-04-01 公開日 2016-10-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.346 Å) 主引用文献 Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
5J2C	Ternary complex crystal structure of DNA polymerase Beta with C:A mismatch at the primer terminus 分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-29 公開日 2016-10-26 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016
5J2J	Ternary complex crystal structure of DNA polymerase Beta with T:G mismatch at the primer terminus 分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-29 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016
5J5D	Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in complex with alpha-ketopimelic acid 分子名称: 2-oxoheptanedioic acid, 4-hydroxy-tetrahydrodipicolinate synthase, SODIUM ION 著者 Navratna, V, Gopal, B. 登録日 2016-04-02 公開日 2016-08-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Inhibition of Mycobacterium tuberculosis dihydrodipicolinate synthase by alpha-ketopimelic acid and its other structural analogues Sci Rep, 6, 2016
4CH8	High-salt crystal structure of a thrombin-GpIbalpha peptide complex 分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... 著者 Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A. 登録日 2013-11-29 公開日 2013-12-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Gpibalpha Interacts Exclusively with Exosite II of Thrombin J.Mol.Biol., 426, 2014
5J0P	Binary complex crystal structure of DNA polymerase Beta with A:C mismatch at the primer terminus 分子名称: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ... 著者 Batra, V.K, Wilson, S.H. 登録日 2016-03-28 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism. Structure, 24, 2016

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