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5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
9GQR
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BU of 9gqr by Molmil
Structure of a consensus-designed decarboxylase (PSC1)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, decarboxylase
Authors:Gavira, J.A, Ramos, J.L, Garcia-Franco, A, de la Torre, J.
Deposit date:2024-09-09
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sustainable synthesis of styrene exploiting a consensus-designed decarboxylase. Purification and crystal structure of PSC1
Mbio, 2025
7RVV
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BU of 7rvv by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
1M35
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BU of 1m35 by Molmil
Aminopeptidase P from Escherichia coli
Descriptor: AMINOPEPTIDASE P, MANGANESE (II) ION
Authors:Graham, S.C, Lee, M, Freeman, H.C, Guss, J.M.
Deposit date:2002-06-27
Release date:2003-05-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An orthorhombic form of Escherichia coli aminopeptidase P at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
9GA5
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BU of 9ga5 by Molmil
MtUvrA2 bound to endogenous E. coli DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endogenous E. coli DNA, UvrABC system protein A, ...
Authors:Genta, M, Capelli, R, Ferrara, G, Rizzi, M, Rossi, F, Jeruzalmi, D, Bolognesi, M, Chaves-Sanjuan, A, Miggiano, R.
Deposit date:2024-07-26
Release date:2025-04-23
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanistic understanding of UvrA damage detection and lesion hand-off to UvrB in Nucleotide Excision Repair.
Nat Commun, 16, 2025
1M41
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BU of 1m41 by Molmil
Crystal structure of Escherichia coli alkanesulfonate monooxygenase SsuD at 2.3 A resolution
Descriptor: FMNH2-dependent alkanesulfonate monooxygenase
Authors:Eichhorn, E, Davey, C.A, Sargent, D.F, Leisinger, T, Richmond, T.J.
Deposit date:2002-07-02
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Escherichia coli Alkanesulfonate Monooxygenase SsuD
J.mol.biol., 324, 2002
1M56
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BU of 1m56 by Molmil
Structure of cytochrome c oxidase from Rhodobactor sphaeroides (Wild Type)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
Authors:Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
7RVZ
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BU of 7rvz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI26
Descriptor: 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9G1W
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BU of 9g1w by Molmil
NMR solution structure of the Thermus thermophilus PilF-GSPIIA domain
Descriptor: Type IV pilus assembly ATPase PilB
Authors:Neissner, K, Woehnert, J, Hacker, C.
Deposit date:2024-07-10
Release date:2025-05-21
Method:SOLUTION NMR
Cite:NMR Solution Structure of the N-Terminal GSPII Domain from the Thermus Thermophilus Traffic ATPase PilF and Reconstruction of its c-di-GMP Binding Capability.
Chembiochem, 26, 2025
9GRZ
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BU of 9grz by Molmil
Cryo-EM structure of human SLC35B1 with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Solute carrier family 35 member B1
Authors:Gulati, A, Ahn, D, Suades, A, Drew, D.
Deposit date:2024-09-13
Release date:2025-05-21
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Stepwise ATP translocation into the endoplasmic reticulum by human SLC35B1.
Nature, 643, 2025
1M4D
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BU of 1m4d by Molmil
Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Tobramycin
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 2'-N-acetyltransferase, COENZYME A, ...
Authors:Vetting, M.W, Hegde, S.S, Javid-Majd, F, Blanchard, J.S, Roderick, S.L.
Deposit date:2002-07-02
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates.
Nat.Struct.Biol., 9, 2002
7RVU
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BU of 7rvu by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI21
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9G65
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BU of 9g65 by Molmil
Crystal structure of the engineered photoenzyme SpEnT1.3
Descriptor: DI(HYDROXYETHYL)ETHER, Engineered photoenzyme SpEnT1.3, MAGNESIUM ION, ...
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-18
Release date:2025-05-14
Last modified:2025-07-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 17, 2025
7RVQ
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BU of 7rvq by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
1M6R
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BU of 1m6r by Molmil
Crystal structure of rGd(CGCGCG) forming hexamer Z-DNA duplex with 5'-(rG) overhang
Descriptor: 5'-R(*G)D(*CP*GP*CP*GP*CP*G)-3'
Authors:Pan, B, Sundaralingam, M.
Deposit date:2002-07-17
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of rGd(CGCGCG): a Z-DNA hexamer duplex with a 5'-(rG) overhang.
Acta Crystallogr.,Sect.D, 59, 2003
7RVX
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BU of 7rvx by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24
Descriptor: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate
Authors:Yang, K, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
9GRR
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BU of 9grr by Molmil
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Cinmethylin
Descriptor: (1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane, GLYCEROL, Oleoyl-acyl carrier protein thioesterase 1, ...
Authors:Montgomery, M.G.
Deposit date:2024-09-12
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides
To Be Published
1M6Y
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BU of 1m6y by Molmil
Crystal Structure Analysis of TM0872, a Putative SAM-dependent Methyltransferase, Complexed with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-methyltransferase mraW, SULFATE ION
Authors:Miller, D.J, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-07-17
Release date:2003-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal complexes of a predicted S-adenosylmethionine-dependent methyltransferase reveal a typical AdoMet binding domain and a substrate recognition domain
Protein Sci., 12, 2003
9FYV
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BU of 9fyv by Molmil
Crystal structure of the engineered photoenzyme VEnT1.3
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, VEnT1.3
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Last modified:2025-07-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 17, 2025
1M7G
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BU of 1m7g by Molmil
Crystal structure of APS kinase from Penicillium Chrysogenum: Ternary structure with ADP and APS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE-2',3'-VANADATE, ADENOSINE-5'-PHOSPHOSULFATE, ...
Authors:Lansdon, E.B, Segel, I.H, Fisher, A.J.
Deposit date:2002-07-19
Release date:2002-11-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Ligand-Induced Structural Changes in Adenosine 5'-Phosphosulfate Kinase from Penicillium chrysogenum.
Biochemistry, 41, 2002
7RW1
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BU of 7rw1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI28
Descriptor: 3C-like proteinase, N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Sankaran, B, Liu, W.
Deposit date:2021-08-19
Release date:2022-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7RML
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BU of 7rml by Molmil
Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B.
Deposit date:2021-07-27
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase.
Protein Sci., 32, 2023
9G0G
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BU of 9g0g by Molmil
BsCdaA in complex with Compound 7
Descriptor: CHLORIDE ION, Cyclic di-AMP synthase CdaA, DI(HYDROXYETHYL)ETHER, ...
Authors:Neumann, P, Ficner, R.
Deposit date:2024-07-08
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic fragment screen of the c-di-AMP-synthesizing enzyme CdaA from Bacillus subtilis.
Acta Crystallogr.,Sect.F, 80, 2024
1M54
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BU of 1m54 by Molmil
CYSTATHIONINE-BETA SYNTHASE: REDUCED VICINAL THIOLS
Descriptor: CYSTATHIONINE BETA-SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:Taoka, S, Lepore, B.W, Kabil, O, Ojha, S, Ringe, D, Banerjee, R.
Deposit date:2002-07-08
Release date:2002-08-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HUMAN CYSTATHIONINE BETA-SYNTHASE IS A HEME SENSOR PROTEIN. EVIDENCE THAT THE REDOX SENSOR IS HEME AND NOT THE VICINAL CYSTEINES IN THE CXXC MOTIF SEEN IN THE CRYSTAL STRUCTURE OF THE TRUNCATED ENZYME
BIOCHEMISTRY, 41, 2002
9GGP
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BU of 9ggp by Molmil
Alpha-1-antitrypsin in complex with the Fab fragment of an anti-polymer antibody
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antitrypsin, Fab fragment heavy chain of 2C1 monoclonal antibody, ...
Authors:Lowen, S.M, Laffranchi, M, Lomas, D.A, Irving, J.A.
Deposit date:2024-08-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:High-resolution characterization of ex vivo AAT polymers by solution-state NMR spectroscopy.
Sci Adv, 11, 2025

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