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3K82
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Crystal Structure of the third PDZ domain of PSD-95
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disks large homolog 4, GLYCEROL, ...
著者Camara-Artigas, A, Gavira, J.A.
登録日2009-10-13
公開日2010-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel conformational aspects of the third PDZ domain of the neuronal post-synaptic density-95 protein revealed from two 1.4A X-ray structures
J.Struct.Biol., 170, 2010
2O4L
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BU of 2o4l by Molmil
Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir
分子名称: CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ...
著者Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
2OFA
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BU of 2ofa by Molmil
Crystal structure of apo AVR4 (R112L,C122S)
分子名称: Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
登録日2007-01-03
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
6WZU
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BU of 6wzu by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-14
公開日2020-05-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6WRH
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BU of 6wrh by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-29
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7CKO
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BU of 7cko by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation
分子名称: 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-07-18
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
6X59
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BU of 6x59 by Molmil
The mouse cGAS catalytic domain binding to human assembled nucleosome
分子名称: Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ...
著者Pengbiao, X, Pingwei, L, Baoyu, Z.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
2PQA
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BU of 2pqa by Molmil
Crystal Structure of Full-length Human RPA 14/32 Heterodimer
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Deng, X, Borgstahl, G.E.
登録日2007-05-01
公開日2007-11-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the full-length human RPA14/32 complex gives insights into the mechanism of DNA binding and complex formation.
J.Mol.Biol., 374, 2007
6VIE
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BU of 6vie by Molmil
Structure of caspase-1 in complex with gasdermin D
分子名称: Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D
著者Liu, Z, Xiao, T.S.
登録日2020-01-13
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020
1YIQ
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BU of 1yiq by Molmil
Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism.
分子名称: CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ...
著者Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S.
登録日2005-01-12
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5
J.Mol.Biol., 352, 2005
5XV5
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BU of 5xv5 by Molmil
Crystal structure of Rib7 mutant S88E from Methanosarcina mazei
分子名称: Conserved protein
著者Yeh, T.M, Chen, S.C, Chang, T.H, Huang, M.F, Liaw, S.H.
登録日2017-06-26
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of archaeal Rib7 and eubacterial RibG reductases in riboflavin biosynthesis: Substrate specificity and cofactor preference.
Biochem. Biophys. Res. Commun., 503, 2018
1ZEM
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BU of 1zem by Molmil
Crystal Structure of NAD+-Bound Xylitol Dehydrogenase
分子名称: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, xylitol dehydrogenase
著者Ehrensberger, A.H, Elling, R.A, Wilson, D.K.
登録日2005-04-19
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided engineering of xylitol dehydrogenase cosubstrate specificity.
Structure, 14, 2006
7CMN
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BU of 7cmn by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 88% RH.
分子名称: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T, Nishiya, Y.
登録日2020-07-28
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
To be published
2O4P
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BU of 2o4p by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir
分子名称: GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease
著者Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
4OW0
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BU of 4ow0 by Molmil
X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ...
著者Baez-Santos, Y.M, Mesecar, A.
登録日2014-01-28
公開日2014-04-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases.
J.Med.Chem., 57, 2014
2OF8
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BU of 2of8 by Molmil
Crystal structure of AVR4 (D39A/C122S)-BNA complex
分子名称: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
登録日2007-01-03
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
2OFB
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BU of 2ofb by Molmil
Crystal structure of AVR4 (R112L/C122S)-BNA complex
分子名称: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
登録日2007-01-03
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
4O67
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Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
著者Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
登録日2013-12-20
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
2PIC
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BU of 2pic by Molmil
E. coli lytic transglycosylase MltA-D308A in apo-2 form
分子名称: Membrane-bound lytic murein transglycosylase A
著者van Straaten, K.E, Dijkstra, B.W, Thunnissen, A.M.W.H.
登録日2007-04-13
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
4O68
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Structure of human cyclic GMP-AMP synthase (cGAS)
分子名称: Cyclic GMP-AMP synthase, ZINC ION
著者Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
登録日2013-12-20
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
4O69
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Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion
分子名称: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION
著者Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
登録日2013-12-20
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
4O6A
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BU of 4o6a by Molmil
Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA
分子名称: Cyclic GMP-AMP synthase, DNA1, DNA2, ...
著者Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
登録日2013-12-20
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
1ZUH
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BU of 1zuh by Molmil
Structural Basis for Shikimate-binding Specificity of Helicobacter pylori Shikimate Kinase
分子名称: Shikimate kinase
著者Cheng, W.C, Chang, Y.N, Wang, W.C.
登録日2005-05-31
公開日2006-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for shikimate-binding specificity of Helicobacter pylori shikimate kinase
J.Bacteriol., 187, 2005
2PKC
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CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
分子名称: PROTEINASE K, SODIUM ION
著者Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
登録日1993-06-04
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994

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