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5KVQ
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BU of 5kvq by Molmil
NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica
分子名称: 1,2-ETHANEDIOL, Irp3 protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Meneely, K.M, Lamb, A.L.
登録日2016-07-15
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
7NE6
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BU of 7ne6 by Molmil
Human TET2 in complex with unfavourable DNA substrate.
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ...
著者Rafalski, D, Bochtler, M.
登録日2021-02-03
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
6EP3
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BU of 6ep3 by Molmil
Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lmo0651 protein, ...
著者Pinheiro, J, Lisboa, J, Carvalho, F, Carreaux, A, Santos, N, Cabral, J, Sousa, S, Cabanes, D.
登録日2017-10-10
公開日2018-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence.
Nucleic Acids Res., 46, 2018
6JTD
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BU of 6jtd by Molmil
Crystal structure of TcCGT1 in complex with UDP
分子名称: 1,2-ETHANEDIOL, C-glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Zhao, P, Yun, C.H.
登録日2019-04-10
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular and Structural Characterization of a Promiscuous C-Glycosyltransferase from Trollius chinensis.
Angew.Chem.Int.Ed.Engl., 58, 2019
5O1N
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BU of 5o1n by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
分子名称: 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide, 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, ...
著者Kopec, J, Rembeza, E, Pena, I.A, Strain-Damerell, C, Goubin, S, Sethi, R, Velupillai, S, Talon, R, Collins, P, Krojer, T, McLaughlin, M, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, von Delft, F, Arruda, P, Yue, W.W.
登録日2017-05-18
公開日2017-05-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
To Be Published
7N9I
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BU of 7n9i by Molmil
1.4A Structure of Drosophila melanogaster Frataxin
分子名称: Frataxin homolog, mitochondrial, SULFATE ION
著者Brunzelle, J.S, Stemmler, T.L.
登録日2021-06-17
公開日2022-06-22
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Drosophila melanogaster frataxin: protein crystal and predicted solution structure with identification of the iron-binding regions.
Acta Crystallogr D Struct Biol, 79, 2023
9KEB
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BU of 9keb by Molmil
Crystal structure of the PIN1 and fragment 24 complex.
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
登録日2024-11-04
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
5I9W
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BU of 5i9w by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.359 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6FXQ
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BU of 6fxq by Molmil
Structure of coproheme decarboxylase from Listeria monocytogenes during turnover
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ...
著者Hofbauer, S, Pfanzagl, V, Mlynek, G, Puehringer, D.
登録日2018-03-09
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
6BXG
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BU of 6bxg by Molmil
1.45 Angstrom Resolution Crystal Structure of PDZ domain of Carboxy-Terminal Protease from Vibrio cholerae in Complex with Peptide.
分子名称: CHLORIDE ION, IODIDE ION, LEU-ILE-ALA, ...
著者Minasov, G, Shuvalova, L, Filippova, E.V, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-12-18
公開日2018-01-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 Angstrom Resolution Crystal Structure of PDZ domain of Carboxy-Terminal Protease from Vibrio cholerae in Complex with Peptide.
To Be Published
5ILG
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BU of 5ilg by Molmil
Crystal structure of photoreceptor dehydrogenase from Drosophila melanogaster
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Hofmann, L, Tsybovsky, Y, Banerjee, S.
登録日2016-03-04
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family.
Biochemistry, 55, 2016
1QMZ
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BU of 1qmz by Molmil
PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ...
著者Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
登録日1999-10-11
公開日1999-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases
Nat.Cell Biol., 1, 1999
6MUK
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BU of 6muk by Molmil
1.93 Angstrom Resolution Crystal Structure of Peptidase M23 from Neisseria gonorrhoeae.
分子名称: Peptidase M23, ZINC ION
著者Minasov, G, Shuvalova, L, Pshenychnyi, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-23
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献1.93 Angstrom Resolution Crystal Structure of Peptidase M23 from Neisseria gonorrhoeae.
To Be Published
3M3H
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BU of 3m3h by Molmil
1.75 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor'
分子名称: CHLORIDE ION, Orotate phosphoribosyltransferase
著者Halavaty, A.S, Shuvalova, L, Minasov, G, Winsor, J, Dubrovska, I, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-03-09
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献1.75 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
3MA9
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BU of 3ma9 by Molmil
Crystal structure of gp41 derived protein complexed with fab 8066
分子名称: Fab8066 FAB ANTIBODY FRAGMENT, Heavy Chain, Light Chain, ...
著者Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M.
登録日2010-03-23
公開日2010-12-01
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
5H5Q
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BU of 5h5q by Molmil
Crystal structure of human GPX4 in complex with GXpep-1
分子名称: GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ...
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2016-11-09
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
6DJE
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BU of 6dje by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
5A1T
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BU of 5a1t by Molmil
Trichomonas vaginalis lactate dehydrogenase in complex with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID
著者Steindel, P.A, Chen, E.H, Theobald, D.L.
登録日2015-05-05
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
6DOU
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BU of 6dou by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 120 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.487 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
分子名称: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
著者Park, E, Eck, M.J.
登録日2018-04-26
公開日2018-07-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.537 Å)
主引用文献Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018
2WCZ
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BU of 2wcz by Molmil
1.6A resolution structure of Archaeoglobus fulgidus Hjc, a Holliday junction resolvase from an archaeal hyperthermophile
分子名称: CHLORIDE ION, HOLLIDAY JUNCTION RESOLVASE
著者Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I.
登録日2009-03-18
公開日2009-03-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献1.6 A Resolution Structure of Archaeoglobus Fulgidus Hjc, a Holliday Junction Resolvase from an Archaeal Hyperthermophile
To be Published
5IO3
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BU of 5io3 by Molmil
Crystal structure of the legionella pneumophila effector protein RavZ - I422
分子名称: Uncharacterized protein RavZ
著者Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K.
登録日2016-03-08
公開日2016-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane
Autophagy, 13, 2017
6FQO
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BU of 6fqo by Molmil
Crystal structure of CREBBP bromodomain complexd with DT29
分子名称: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
6G4M
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BU of 6g4m by Molmil
Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1
分子名称: 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
3MUK
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BU of 3muk by Molmil
Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, peptide of Histone H3.3
著者Vollmuth, F, Geyer, M.
登録日2010-05-03
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010

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