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2NWP
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Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
分子名称: SULFATE ION, ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-16
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
4EHW
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Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
著者Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
登録日2012-04-04
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
7TH1
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BU of 7th1 by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B3
分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
5WB6
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BU of 5wb6 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1YUY
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BU of 1yuy by Molmil
HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE GENOTYPE 2a
分子名称: RNA-Dependent RNA polymerase, SULFATE ION
著者Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G.
登録日2005-02-14
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
1YV2
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Hepatitis C virus NS5B RNA-dependent RNA Polymerase genotype 2a
分子名称: GLYCEROL, RNA dependent RNA polymerase, SULFATE ION
著者Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G.
登録日2005-02-14
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of the RNA-dependent RNA Polymerase Genotype 2a of Hepatitis C Virus Reveal Two Conformations and Suggest Mechanisms of Inhibition by Non-nucleoside Inhibitors
J.Biol.Chem., 280, 2005
7V35
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Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex
分子名称: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-10
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
1YVZ
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Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor
分子名称: 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION
著者Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G.
登録日2005-02-16
公開日2005-03-22
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
5FMQ
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BU of 5fmq by Molmil
Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
著者Thierry, E, Pflug, A, Hart, D, Cusack, S.
登録日2015-11-07
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
7PP1
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BU of 7pp1 by Molmil
Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel.
分子名称: CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, Selatogrel
著者Mac Sweeney, A, Tidten-Luksch, N.
登録日2021-09-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Inverse agonist efficacy of selatogrel blunts constitutive P2Y12 receptor signaling by inducing the inactive receptor conformation.
Biochem Pharmacol, 206, 2022
2NXT
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BU of 2nxt by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
分子名称: ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
5IPJ
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BU of 5ipj by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.
分子名称: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2016-03-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
7TI2
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BU of 7ti2 by Molmil
Structure of KPC-2 bound to RPX-7063 at 1.75A
分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolyzing beta-lactamase KPC, {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
著者Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J.
登録日2022-01-12
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
5WJS
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BU of 5wjs by Molmil
Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from Burkholderia thailandensis complexed with NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Oxidoreductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-07-24
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from Burkholderia thailandensis complexed with NADH
TO BE PUBLISHED
5YOZ
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BU of 5yoz by Molmil
Solution structure of truncated Rab5a from Leishmania donovani
分子名称: Rab5a
著者Maheshwari, D, Yadav, R, Mukhopadhyay, A, Arora, A.
登録日2017-10-31
公開日2018-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Biophysical Characterization of Rab5a from Leishmania Donovani
Biophys. J., 115, 2018
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7LDE
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BU of 7lde by Molmil
native AMPA receptor
分子名称: 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ...
著者Yu, J, Rao, P, Gouaux, E.
登録日2021-01-13
公開日2021-05-12
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition.
Nature, 594, 2021
7LDD
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BU of 7ldd by Molmil
native AMPA receptor
分子名称: 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ...
著者Yu, J, Rao, P, Gouaux, E.
登録日2021-01-13
公開日2021-05-12
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition.
Nature, 594, 2021
7LEP
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BU of 7lep by Molmil
The composite LBD-TMD structure combined from all hippocampal AMPAR subtypes at 3.25 Angstrom resolution
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol, DECANE, ...
著者Yu, J, Rao, P, Gouaux, E.
登録日2021-01-14
公開日2021-05-12
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition.
Nature, 594, 2021
1XZN
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BU of 1xzn by Molmil
PYRR, THE REGULATOR OF THE PYRIMIDINE BIOSYNTHETIC OPERON IN BACILLUS CALDOLYTICUS, sulfate-bound form
分子名称: MAGNESIUM ION, PyrR bifunctional protein, SULFATE ION
著者Chander, P, Halbig, K.M, Miller, J.K, Fields, C.J, Bonner, H.K, Grabner, G.K, Switzer, R.L, Smith, J.L.
登録日2004-11-12
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides.
J.Bacteriol., 187, 2005
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
6E0T
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BU of 6e0t by Molmil
C-terminal domain of Fission Yeast OFD1
分子名称: Prolyl 3,4-dihydroxylase ofd1
著者Bianchet, M.A, Amzel, L.M, Espenshade, P.J, Yeh, T.
登録日2018-07-06
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The hypoxic regulator of sterol synthesis nro1 is a nuclear import adaptor.
Structure, 19, 2011
4BIM
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BU of 4bim by Molmil
CATALASE 3 FROM NEUROSPORA CRASSA IN TETRAGONAL FORM EXPOSES A MODIFIED TETRAMERIC ORGANIZATION
分子名称: CATALASE 3, PROTOPORPHYRIN IX CONTAINING FE
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2013-04-11
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
1XZ8
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Pyrr, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, Nucleotide-bound form
分子名称: GUANOSINE-3'-MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Chander, P, Halbig, K.M, Miller, J.K, Fields, C.J, Bonner, H.K, Grabner, G.K, Switzer, R.L, Smith, J.L.
登録日2004-11-11
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides.
J.Bacteriol., 187, 2005
5Z7Z
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Crystal structure of Striga hermonthica Dwarf14 (ShD14)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dwarf 14, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018

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