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2O7D
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BU of 2o7d by Molmil
Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with caffeate
Descriptor: CAFFEIC ACID, Putative histidine ammonia-lyase
Authors:Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P.
Deposit date:2006-12-10
Release date:2007-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Chem.Biol., 13, 2006
4OTK
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BU of 4otk by Molmil
A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Descriptor: CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971
Authors:Shahine, A, Beddoe, T.
Deposit date:2014-02-13
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Acta Crystallogr.,Sect.F, 70, 2014
4P3Z
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BU of 4p3z by Molmil
Chlamydia pneumoniae CopN (D29 construct)
Descriptor: CopN, GLYCEROL, SULFATE ION
Authors:Nawrotek, A, Guimaraes, B.G, Knossow, M, Gigant, B.
Deposit date:2014-03-10
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Biochemical and Structural Insights into Microtubule Perturbation by CopN from Chlamydia pneumoniae.
J.Biol.Chem., 289, 2014
1BK2
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BU of 1bk2 by Molmil
A-SPECTRIN SH3 DOMAIN D48G MUTANT
Descriptor: A-SPECTRIN
Authors:Martinez, J.C, Pisabarro, M.T, Serrano, L.
Deposit date:1998-07-14
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Obligatory steps in protein folding and the conformational diversity of the transition state.
Nat.Struct.Biol., 5, 1998
3E9C
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BU of 3e9c by Molmil
Structure of a tryptic core fragment of TIGAR from Danio rerio
Descriptor: POTASSIUM ION, Zgc:56074
Authors:Li, H, Jogl, G.
Deposit date:2008-08-21
Release date:2008-12-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:TIGAR (TP53 induced glycolysis and apoptosis regulator) is a fructose-2,6- and fructose-1,6-bisphosphatase
To be Published
5UJY
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BU of 5ujy by Molmil
The structure of Mycobacterium tuberculosis topoisomerase I from the 2nd crystal form
Descriptor: DNA topoisomerase 1
Authors:Cao, N, Tan, K, Tse-Dinh, Y.C.
Deposit date:2017-01-19
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
2UWX
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BU of 2uwx by Molmil
Active site restructuring regulates ligand recognition in class A penicillin-binding proteins
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, DiGuilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2007-03-23
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
1ID4
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BU of 1id4 by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT (H157Q) OF THE HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: CAPSID PROTEIN P40: ASSEMBLIN PROTEASE
Authors:Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L.
Deposit date:2001-04-03
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
2XD1
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BU of 2xd1 by Molmil
ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins.
Proc.Natl.Acad.Sci.USA, 102, 2005
2RUP
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BU of 2rup by Molmil
Solution structure of rat P2X4 receptor head domain
Descriptor: P2X purinoceptor 4
Authors:Abe, Y, Igawa, T, Tsuda, M, Inoue, K, Ueda, T.
Deposit date:2014-11-12
Release date:2015-02-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the rat P2X4 receptor head domain involved in inhibitory metal binding
FEBS Lett., 589, 2015
2YK0
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BU of 2yk0 by Molmil
Structure of the N-terminal NTS-DBL1-alpha and CIDR-gamma double domain of the PfEMP1 protein from Plasmodium falciparum varO strain.
Descriptor: ERYTHROCYTE MEMBRANE PROTEIN 1, MAGNESIUM ION, SULFATE ION
Authors:Lewit-Bentley, A, Juillerat, A, Vigan-Womas, I, Guillotte, M, Hessel, A, Raynal, B, Mercereau-Puijalon, O, Bentley, G.A.
Deposit date:2011-05-25
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Abo Blood-Group Dependence of Plasmodium Falciparum Rosetting.
Plos Pathog., 8, 2012
1IEG
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BU of 1ieg by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT S134A/H157A OF THE HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: CAPSID PROTEIN P40: ASSEMBLIN PROTEASE
Authors:Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L.
Deposit date:2001-04-09
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
Deposit date:2020-09-29
Release date:2020-10-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
1IEC
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BU of 1iec by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT (H157A) OF THE HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: CAPSID PROTEIN P40: ASSEMBLIN PROTEASE
Authors:Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L.
Deposit date:2001-04-09
Release date:2001-06-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
1IED
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BU of 1ied by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT (H157E) OF THE HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: CAPSID PROTEIN P40: ASSEMBLIN PROTEASE
Authors:Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L.
Deposit date:2001-04-09
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
1IEF
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BU of 1ief by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT S134A OF THE HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: CAPSID PROTEIN P40: ASSEMBLIN PROTEASE
Authors:Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L.
Deposit date:2001-04-09
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
7FGT
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BU of 7fgt by Molmil
Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA)
Descriptor: DNA (5'-D(*AP*AP*GP*AP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*CP*TP*T)-3'), ~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide
Authors:Takase, N, Kawai, G, Igarashi, W, Katagiri, T.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA)
To be published
8QID
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BU of 8qid by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Descriptor: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QJ8
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BU of 8qj8 by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
5JAA
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BU of 5jaa by Molmil
Crystal structure of the HigBA2 toxin-antitoxin complex
Descriptor: Antitoxin igA-2, Toxin HigB-2
Authors:Hadzi, S, Loris, R.
Deposit date:2016-04-12
Release date:2017-04-05
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism.
Nucleic Acids Res., 45, 2017
6PLR
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BU of 6plr by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor bound with glycine in nanodisc, desensitized state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1, ...
Authors:Yu, J, Zhu, H, Gouaux, E.
Deposit date:2019-07-01
Release date:2021-01-06
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
6PLT
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BU of 6plt by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor bound with taurine in nanodisc, closed state
Descriptor: 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ...
Authors:Yu, J, Zhu, H, Gouaux, E.
Deposit date:2019-07-01
Release date:2021-01-06
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021

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