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6N4K
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BU of 6n4k by Molmil
Dithionite-reduced nucleotide-free form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
6O4F
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BU of 6o4f by Molmil
Structure of ALDH7A1 mutant N167S complexed with alpha-aminoadipate
Descriptor: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
Authors:Tanner, J.J, Korasick, D.A, Laciak, A.R.
Deposit date:2019-02-28
Release date:2019-07-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
8X6Z
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BU of 8x6z by Molmil
1-naphthylamine GS from Pseudomonas sp. JS3066
Descriptor: Glutamine synthetase, MANGANESE (II) ION
Authors:Zhou, N.Y, Zhang, S.T.
Deposit date:2023-11-22
Release date:2024-01-03
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery of the 1-naphthylamine biodegradation pathway reveals a broad-substrate-spectrum enzyme catalyzing 1-naphthylamine glutamylation.
Elife, 13, 2024
8EVE
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BU of 8eve by Molmil
HUMAN DNA POLYMERASE ETA INSERTION COMPLEX
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2022-10-20
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta.
J.Biol.Chem., 299, 2023
5YEQ
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BU of 5yeq by Molmil
The structure of Sac-KARI protein
Descriptor: 1,2-ETHANEDIOL, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
Authors:Ko, T.P, Chen, C.Y, Lin, K.F, Lin, B.L, Huang, C.H, Chiang, C.H, Horng, J.C, Tsai, M.D.
Deposit date:2017-09-19
Release date:2018-07-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:NADH/NADPH bi-cofactor-utilizing and thermoactive ketol-acid reductoisomerase from Sulfolobus acidocaldarius
Sci Rep, 8, 2018
4XRX
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BU of 4xrx by Molmil
Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2015-12-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
6XMY
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BU of 6xmy by Molmil
Crystal Structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Legionella pneumophila in complex with NAD
Descriptor: 1,2-ETHANEDIOL, 4-hydroxythreonine-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-07-01
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Legionella pneumophila in complex with NAD
to be published
9AYI
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BU of 9ayi by Molmil
Human malic enzyme 2 cofactor complex at 1.89 Angstrom.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ...
Authors:Krinkel, B.A, Squire, C.J, Loomes, K.M.
Deposit date:2024-03-07
Release date:2025-03-12
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Human malic enzyme 2
To Be Published
6RT1
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BU of 6rt1 by Molmil
Native tetragonal lysozyme - home source data
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Pereira, P.J.B.
Deposit date:2019-05-22
Release date:2019-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
5ZJP
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BU of 5zjp by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
Authors:Manjunath, L, Guntupalli, S.R.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
Descriptor: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5C5W
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BU of 5c5w by Molmil
1.25 A resolution structure of an RNA 20-mer
Descriptor: RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3')
Authors:Stewart, M, Valkov, E.
Deposit date:2015-06-22
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 angstrom resolution structure of an RNA 20-mer that binds to the TREX2 complex.
Acta Crystallogr.,Sect.F, 71, 2015
6PXO
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BU of 6pxo by Molmil
Human Casein Kinase 1 delta (anion-free crystallization conditions)
Descriptor: Casein kinase I isoform delta
Authors:Freeberg, A, Philpott, J.M, Tripathi, S.M, Partch, C.L.
Deposit date:2019-07-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
8THM
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BU of 8thm by Molmil
Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
Authors:Pulsford, S.B, Jackson, C.J.
Deposit date:2023-07-17
Release date:2023-08-09
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyanobacterial alpha-carboxysome carbonic anhydrase is allosterically regulated by the Rubisco substrate RuBP.
Sci Adv, 10, 2024
6NJ7
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BU of 6nj7 by Molmil
11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID
Descriptor: (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, D.J, Rivas, F.
Deposit date:2019-01-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanistic Insight on the Mode of Action of Colletoic Acid.
J.Med.Chem., 62, 2019
4WES
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BU of 4wes by Molmil
Nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 1.08 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, ...
Authors:Zhang, L.M, Morrison, C.N, Kaiser, J.T, Rees, D.C.
Deposit date:2014-09-10
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Nitrogenase MoFe protein from Clostridium pasteurianum at 1.08 angstrom resolution: comparison with the Azotobacter vinelandii MoFe protein.
Acta Crystallogr.,Sect.D, 71, 2015
7R0P
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BU of 7r0p by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Lactaldehyde reductase, ...
Authors:Shruthi, S, Tiila, R.K, Rikkert, W, Mikael, W.
Deposit date:2022-02-02
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
6NUB
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BU of 6nub by Molmil
Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Srivastava, D, Nandi, S, Dey, M.
Deposit date:2019-01-31
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
8QG5
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BU of 8qg5 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G, Lionne, C.
Deposit date:2023-09-05
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
To be published
8QG6
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BU of 8qg6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G, Lionne, C.
Deposit date:2023-09-05
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
To be published
8RF2
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BU of 8rf2 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data
Descriptor: 1-benzothiophen-5-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
6QDY
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BU of 6qdy by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea
Descriptor: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
Deposit date:2019-01-03
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.416 Å)
Cite:The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme.
Angew.Chem.Int.Ed.Engl., 58, 2019
8RFF
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BU of 8rff by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data
Descriptor: 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
6NU5
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BU of 6nu5 by Molmil
Pyruvate Kinase M2 Mutant - S437Y in Complex with L-cysteine
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
Authors:Srivastava, D, Nandi, S, Dey, M.
Deposit date:2019-01-30
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022

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