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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
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
著者Wenke, B.B, Spatzal, T, Rees, D.C.
登録日2018-11-19
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Glutamine synthetase, MANGANESE (II) ION
著者Zhou, N.Y, Zhang, S.T.
登録日2023-11-22
公開日2024-01-03
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Pallan, P.S, Egli, M.
登録日2022-10-20
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
著者Ko, T.P, Chen, C.Y, Lin, K.F, Lin, B.L, Huang, C.H, Chiang, C.H, Horng, J.C, Tsai, M.D.
登録日2017-09-19
公開日2018-07-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 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
著者Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
登録日2015-01-21
公開日2015-12-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-hydroxythreonine-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-07-01
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ...
著者Krinkel, B.A, Squire, C.J, Loomes, K.M.
登録日2024-03-07
公開日2025-03-12
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Human malic enzyme 2
To Be Published
6RT1
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BU of 6rt1 by Molmil
Native tetragonal lysozyme - home source data
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Pereira, P.J.B.
登録日2019-05-22
公開日2019-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.336 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
著者Manjunath, L, Guntupalli, S.R.
登録日2018-03-21
公開日2018-12-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献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
分子名称: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
分子名称: RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3')
著者Stewart, M, Valkov, E.
登録日2015-06-22
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献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)
分子名称: Casein kinase I isoform delta
著者Freeberg, A, Philpott, J.M, Tripathi, S.M, Partch, C.L.
登録日2019-07-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
著者Pulsford, S.B, Jackson, C.J.
登録日2023-07-17
公開日2023-08-09
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (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
著者Miller, D.J, Rivas, F.
登録日2019-01-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, ...
著者Zhang, L.M, Morrison, C.N, Kaiser, J.T, Rees, D.C.
登録日2014-09-10
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lactaldehyde reductase, ...
著者Shruthi, S, Tiila, R.K, Rikkert, W, Mikael, W.
登録日2022-02-02
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Srivastava, D, Nandi, S, Dey, M.
登録日2019-01-31
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: (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
著者Gelin, M, Labesse, G, Lionne, C.
登録日2023-09-05
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献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
分子名称: (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
著者Gelin, M, Labesse, G, Lionne, C.
登録日2023-09-05
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献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
分子名称: 1-benzothiophen-5-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-01-03
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献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
分子名称: 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
著者Srivastava, D, Nandi, S, Dey, M.
登録日2019-01-30
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022

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