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5XWF
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BU of 5xwf by Molmil
Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (SP3221/SAD)
Descriptor: Fungal chitinase from Rhizomucor miehei (SeMet-substituted proteins)
Authors:Jiang, Z.Q, Hu, S.Q, Liu, Y.C, Qin, Z, Yan, Q.J, Yang, S.Q.
Deposit date:2017-06-29
Release date:2018-07-04
Last modified:2021-08-18
Method:X-RAY DIFFRACTION (2.581 Å)
Cite:Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 2021
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J, Herzberg, O.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
6WUU
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BU of 6wuu by Molmil
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250
Descriptor: MAGNESIUM ION, Non-structural protein 3, VIR250, ...
Authors:Lv, Z, Olsen, S.K.
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
3PF1
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BU of 3pf1 by Molmil
E. coli FadL Asp348Ala mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein
Authors:Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D.
Deposit date:2010-10-27
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
8UUF
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BU of 8uuf by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
Descriptor: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
Authors:Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UOB
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BU of 8uob by Molmil
SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
Descriptor: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
Deposit date:2023-10-19
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
2QCF
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BU of 2qcf by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCM
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BU of 2qcm by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 6-hydroxymethyl-UMP
Descriptor: 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE), Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCL
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BU of 2qcl by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to OMP
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
1F0O
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BU of 1f0o by Molmil
PVUII ENDONUCLEASE/COGNATE DNA COMPLEX (GLUTARALDEHYDE-CROSSLINKED CRYSTAL) AT PH 7.5 WITH TWO CALCIUM IONS AT EACH ACTIVE SITE
Descriptor: (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C-3'), CALCIUM ION, TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-16
Release date:2000-11-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
4CHM
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BU of 4chm by Molmil
Structure of Inner Membrane Complex (IMC) Sub-compartment Protein 1 (ISP1) from Toxoplasma gondii
Descriptor: IMC SUB-COMPARTMENT PROTEIN ISP1, SULFATE ION
Authors:Tonkin, M.L, Beck, J.R, Bradley, P.J, Boulanger, M.J.
Deposit date:2013-12-03
Release date:2014-04-09
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Inner Membrane Complex Sub-Compartment Proteins Critical for Replication of the Apicomplexan Parasite Toxoplasma Gondii Adopt a Pleckstrin Homology Fold
J.Biol.Chem., 289, 2014
6LNW
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BU of 6lnw by Molmil
Crystal structure of accessory secretory protein 1,2 and 3 in Streptococcus pneumoniae
Descriptor: Accessory secretory protein Asp1, Accessory secretory protein Asp2, Accessory secretory protein Asp3
Authors:Guo, C, Feng, Z, Zuo, G.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional insights into the Asp1/2/3 complex mediated secretion of pneumococcal serine-rich repeat protein PsrP.
Biochem.Biophys.Res.Commun., 524, 2020
1Q36
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BU of 1q36 by Molmil
EPSP synthase (Asp313Ala) liganded with tetrahedral reaction intermediate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID, FORMIC ACID
Authors:Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E.
Deposit date:2003-07-28
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
1Q3G
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BU of 1q3g by Molmil
MurA (Asp305Ala) liganded with tetrahedral reaction intermediate
Descriptor: 1,2-ETHANEDIOL, 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E.
Deposit date:2003-07-29
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
5UTV
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BU of 5utv by Molmil
SARS-unique fold in the Rousettus Bat Coronavirus HKU9
Descriptor: Papain-like proteinase
Authors:Hammond, R.G, Tan, X, Johnson, M.A.
Deposit date:2017-02-15
Release date:2017-06-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:SARS-unique fold in the Rousettus bat coronavirus HKU9.
Protein Sci., 26, 2017
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
5T02
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BU of 5t02 by Molmil
Structural characterisation of mutant Asp39Ala of thioesterase (NmACH) from Neisseria meningitidis
Descriptor: Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2016-08-15
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
3ONE
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BU of 3one by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
3ONF
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BU of 3onf by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
1RD5
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BU of 1rd5 by Molmil
Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system
Descriptor: MALONIC ACID, Tryptophan synthase alpha chain, chloroplast
Authors:Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I.
Deposit date:2003-11-05
Release date:2004-12-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
1WBJ
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BU of 1wbj by Molmil
wildtype tryptophan synthase complexed with glycerol phosphate
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ...
Authors:Kulik, V, Weyand, M, Schlichting, I.
Deposit date:2004-11-01
Release date:2006-05-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:On the Structural Basis of the Catalytic Mechanism and the Regulation of the Alpha Subunit of Tryptophan Synthase from Salmonella Typhimurium and Bx1 from Maize, Two Evolutionarily Related Enzymes.
J.Mol.Biol., 352, 2005
4B1W
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BU of 4b1w by Molmil
Structure of the Phactr1 RPEL-2 domain bound to actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q.
Deposit date:2012-07-12
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
4B1X
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BU of 4b1x by Molmil
Structure of the Phactr1 RPEL-2 bound to G-actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q.
Deposit date:2012-07-12
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012

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