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2BSL
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BU of 2bsl by Molmil
Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with 3,4-dihydroxybenzoate
分子名称: 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE A, ...
著者Wolfe, A.E, Hansen, M, Gattis, S.G, Hu, Y.-C, Johansson, E, Arent, S, Larsen, S, Palfey, B.A.
登録日2005-05-23
公開日2006-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interaction of Benzoate Pyrimidine Analogues with Class 1A Dihydroorotate Dehydrogenase from Lactococcus Lactis.
Biochemistry, 46, 2007
5AOY
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BU of 5aoy by Molmil
Structure of mouse Endonuclease V
分子名称: ENDONUCLEASE V
著者Vik, E.S, Nawaz, M.S, Ronander, M.E, Solvoll, A.M, Strom-Andersen, P, Bjoras, M, Alseth, I, Dalhus, B.
登録日2015-09-14
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure and Md Simulation of Mouse Endov Reveal Wedge Motif Plasticity in This Inosine-Specific Endonuclease.
Sci.Rep., 6, 2016
2BP1
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BU of 2bp1 by Molmil
Structure of the aflatoxin aldehyde reductase in complex with NADPH
分子名称: AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 2, CITRATE ANION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Debreczeni, J.E, Lukacik, P, Kavanagh, K, Dubinina, E, Bray, J, Colebrook, S, Haroniti, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Gileadi, O, Oppermann, U.
登録日2005-04-17
公開日2005-05-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Aflatoxin Aldehyde Reductase in Complex with Nadph
To be Published
8CU6
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BU of 8cu6 by Molmil
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
登録日2022-05-16
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
5NCE
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BU of 5nce by Molmil
Structure of PsDef1 defensin from Pinus sylvestris
分子名称: Defensin-1
著者Khairutdinov, B.I, Ermakova, E.A, Bessolitsyna, E.K, Toporkova, Y.Y, Tarasova, N.B, Kovaleva, V, Zuev, Y.F, Nesmelova, I.V.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR structure, conformational dynamics, and biological activity of PsDef1 defensin from Pinus sylvestris.
Biochim. Biophys. Acta, 1865, 2017
6E26
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BU of 6e26 by Molmil
NMR solution structure of the CARD9 CARD
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
2IF7
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BU of 2if7 by Molmil
Crystal Structure of NTB-A
分子名称: CALCIUM ION, CHLORIDE ION, SLAM family member 6
著者Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C.
登録日2006-09-20
公開日2006-10-17
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献NTB-A Receptor Crystal Structure: Insights into Homophilic Interactions in the Signaling Lymphocytic Activation Molecule Receptor Family.
Immunity, 25, 2006
6E25
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BU of 6e25 by Molmil
NMR solution structure of the CARD9 CARD bound to zinc
分子名称: Caspase recruitment domain-containing protein 9, ZINC ION
著者Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
登録日2022-05-16
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
2TCI
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BU of 2tci by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
分子名称: THIOCYANATE INSULIN, THIOCYANATE ION, ZINC ION
著者Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
登録日1995-09-13
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
4E1C
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BU of 4e1c by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mg++
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-03-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and functional characterization of the Vibrio cholerae toxin from the VgrG/MARTX family.
J.Biol.Chem., 2012
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
著者Das, K, Arnold, E.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
7B1J
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BU of 7b1j by Molmil
Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
分子名称: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
著者Fischer, E, Bellini, D, Barford, D.
登録日2020-11-25
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
8D9M
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BU of 8d9m by Molmil
Cryo-EM of the OmcZ nanowires from Geobacter sulfurreducens
分子名称: Cytochrome c, HEME C
著者Wang, F, Chan, C.H, Mustafa, K, Hochbaum, A.I, Bond, D.R, Egelman, E.H.
登録日2022-06-10
公開日2022-09-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of Geobacter OmcZ filaments suggests extracellular cytochrome polymers evolved independently multiple times.
Elife, 11, 2022
5OJJ
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BU of 5ojj by Molmil
Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ...
著者Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H.
登録日2017-07-21
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
8DEW
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BU of 8dew by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with LL-37 complex
分子名称: Antibacterial peptide LL-37, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
著者Lyu, M, Yu, E.W.
登録日2022-06-21
公開日2022-09-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
4DD8
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BU of 4dd8 by Molmil
ADAM-8 metalloproteinase domain with bound batimastat
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, CHLORIDE ION, ...
著者Hall, T, Shieh, H.S, Day, J.E, Caspers, N, Chrencik, J.E, Williams, J.M, Pegg, L.E, Pauley, A.M, Moon, A.F, Krahn, J.M, Fischer, D.H, Kiefer, J.R, Tomasselli, A.G, Zack, M.D.
登録日2012-01-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human ADAM-8 catalytic domain complexed with batimastat.
Acta Crystallogr.,Sect.F, 68, 2012
1RZV
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BU of 1rzv by Molmil
Crystal structure of the glycogen synthase from Agrobacterium tumefaciens (non-complexed form)
分子名称: Glycogen synthase 1
著者Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M.
登録日2003-12-29
公開日2004-08-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation.
Embo J., 23, 2004
6V0S
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BU of 6v0s by Molmil
Crystal structure of the bromodomain of human BRD9 bound to TG003
分子名称: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Bromodomain-containing protein 9
著者Karim, M.R, Chan, A, Schonbrunn, E.
登録日2019-11-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
7KMT
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BU of 7kmt by Molmil
Structure of the yeast TRAPPIII-Ypt1(Rab1) complex
分子名称: GTP-binding protein YPT1, PALMITIC ACID, Trafficking protein particle complex III-specific subunit 85, ...
著者Joiner, A.M.N, Phillips, B.P, Miller, E.A, Fromme, J.C.
登録日2020-11-03
公開日2021-06-02
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of TRAPPIII-mediated Rab1 activation.
Embo J., 40, 2021
2TRA
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BU of 2tra by Molmil
RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS
分子名称: MAGNESIUM ION, SPERMINE, TRNAASP
著者Westhof, E, Dumas, P, Moras, D.
登録日1987-11-06
公開日1987-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988
4I5O
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BU of 4i5o by Molmil
Crystal Structure of W-W-R ClpX Hexamer
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION
著者Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T.
登録日2012-11-28
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.4787 Å)
主引用文献Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
1F29
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BU of 1f29 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
分子名称: 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
4I6R
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BU of 4i6r by Molmil
High Resolution Crystal Structure of the Wild-Type Restriction-Modification Controller Protein C.Esp1396I (Triclinic form)
分子名称: GLYCEROL, Regulatory protein, SULFATE ION
著者Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
登録日2012-11-30
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
6V1K
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BU of 6v1k by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI7273
分子名称: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2019-11-20
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020

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