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3K82
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BU of 3k82 by Molmil
Crystal Structure of the third PDZ domain of PSD-95
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disks large homolog 4, GLYCEROL, ...
Authors:Camara-Artigas, A, Gavira, J.A.
Deposit date:2009-10-13
Release date:2010-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
6WZU
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BU of 6wzu by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
Descriptor: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-14
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
2OFA
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BU of 2ofa by Molmil
Crystal structure of apo AVR4 (R112L,C122S)
Descriptor: Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
6WRH
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BU of 6wrh by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
Descriptor: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
Authors: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)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1
Authors:Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
Deposit date:2020-07-18
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite: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
Descriptor: Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ...
Authors:Pengbiao, X, Pingwei, L, Baoyu, Z.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite: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
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Fu, Z, Huang, H.
Deposit date:2020-07-11
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
Authors:Deng, X, Borgstahl, G.E.
Deposit date:2007-05-01
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D
Authors:Liu, Z, Xiao, T.S.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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.
Descriptor: CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ...
Authors:Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S.
Deposit date:2005-01-12
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Conserved protein
Authors:Yeh, T.M, Chen, S.C, Chang, T.H, Huang, M.F, Liaw, S.H.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, xylitol dehydrogenase
Authors:Ehrensberger, A.H, Elling, R.A, Wilson, D.K.
Deposit date:2005-04-19
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: 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
Authors:Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ...
Authors:Baez-Santos, Y.M, Mesecar, A.
Deposit date:2014-01-28
Release date:2014-04-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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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BU of 4o67 by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.444 Å)
Cite: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
Descriptor: Membrane-bound lytic murein transglycosylase A
Authors:van Straaten, K.E, Dijkstra, B.W, Thunnissen, A.M.W.H.
Deposit date:2007-04-13
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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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BU of 4o68 by Molmil
Structure of human cyclic GMP-AMP synthase (cGAS)
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.436 Å)
Cite: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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BU of 4o69 by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.252 Å)
Cite: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
Descriptor: Cyclic GMP-AMP synthase, DNA1, DNA2, ...
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.859 Å)
Cite: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
Descriptor: Shikimate kinase
Authors:Cheng, W.C, Chang, Y.N, Wang, W.C.
Deposit date:2005-05-31
Release date:2006-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for shikimate-binding specificity of Helicobacter pylori shikimate kinase
J.Bacteriol., 187, 2005
2PKC
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BU of 2pkc by Molmil
CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
Descriptor: PROTEINASE K, SODIUM ION
Authors:Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
Deposit date:1993-06-04
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994

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