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4US9
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Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3- phenylpropionaldehyde
分子名称: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 3-PHENYLPROPANAL, ALDEHYDE OXIDOREDUCTASE, ...
著者Correia, H.D, Romao, M.J, Santos-Silva, T.
登録日2014-07-03
公開日2014-10-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
4UQY
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BU of 4uqy by Molmil
Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
分子名称: HSIB1, HSIE1
著者Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
登録日2014-06-25
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
J.Biol.Chem., 289, 2014
8HL9
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BU of 8hl9 by Molmil
Crystal structure of Galectin-8 C-CRD with part of linker
分子名称: Galectin-8
著者Si, Y.L.
登録日2022-11-29
公開日2023-07-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Linker remodels human Galectin-8 structure and regulates its hemagglutination and pro-apoptotic activity.
Int.J.Biol.Macromol., 245, 2023
8HP6
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BU of 8hp6 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase D12A mutant
分子名称: (S)-2-haloacid dehalogenase, SODIUM ION
著者Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-12-12
公開日2023-06-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
6U9R
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MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6P8Z
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BU of 6p8z by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor
分子名称: 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
4UW3
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BU of 4uw3 by Molmil
Human galectin-7 in complex with a galactose based dendron D1.
分子名称: DENDRON-D1, HUMAN GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4V07
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Dimeric pseudorabies virus protease pUL26N at 2.1 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, UL26
著者Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
登録日2014-09-11
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
4V1B
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Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 collected at the Zn edge
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
6XDF
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Crystal structure of IRE1a in complex with G-4100
分子名称: 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Steinbacher, S, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
8HP5
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BU of 8hp5 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase
分子名称: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL
著者Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-12-12
公開日2023-06-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
4UY3
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BU of 4uy3 by Molmil
Cytoplasmic domain of bacterial cell division protein ezra
分子名称: SEPTATION RING FORMATION REGULATOR EZRA
著者Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J.
登録日2014-08-28
公開日2014-10-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
4V17
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BU of 4v17 by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-25
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4V1S
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BU of 4v1s by Molmil
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
分子名称: ALPHA-1,6-MANNANASE, GLYCEROL
著者Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
登録日2014-10-02
公開日2015-02-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
4UT7
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BU of 4ut7 by Molmil
CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4V0W
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The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-669)
分子名称: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
登録日2014-09-18
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4UUT
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Crystal structure of the Ultrabithorax protein
分子名称: CHLORIDE ION, HOMEOTIC PROTEIN ULTRABITHORAX, SULFATE ION
著者Foos, N, Mate, M.J, Ortiz-Lombardia, M.
登録日2014-07-31
公開日2015-02-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Flexible Extension of the Drosophila Ultrabithorax Homeodomain Defines a Novel Hox/Pbc Interaction Mode.
Structure, 23, 2015
4USK
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BU of 4usk by Molmil
Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ...
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-09
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
8HP7
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Crystal structure of (S)-2-haloacid dehalogenase K152A mutant trapped with (2R)-4-amino-2-hydroxybutanoic acid
分子名称: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, GAMMA-AMINO-BUTANOIC ACID
著者Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-12-12
公開日2023-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
4V0K
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Crystal structure of the CrARL6DN in the GDP bound form
分子名称: ARF-LIKE SMALL GTPASE, CADMIUM ION, GUANOSINE-5'-DIPHOSPHATE
著者Mourao, A, Lorentzen, E.
登録日2014-09-17
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献Structural Basis for Membrane Targeting of the Bbsome by Arl6
Nat.Struct.Mol.Biol., 21, 2014
4UTG
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Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-21
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
5TQG
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Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
4UXH
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Leishmania major Thymidine Kinase in complex with AP5dT
分子名称: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION
著者Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
登録日2014-08-22
公開日2015-05-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4V1X
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The structure of the hexameric atrazine chlorohydrolase, AtzA
分子名称: ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION
著者Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
登録日2014-10-04
公開日2015-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015

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