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PDB: 45697 件
8F2M
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BU of 8f2m by Molmil
Phi-29 scaffolding protein bound to intermediate-state MCP
分子名称: Capsid assembly scaffolding protein, Major capsid protein
著者Woodson, M.E, Morais, M.C, Jardine, P.J, Scott, S.D.
登録日2022-11-08
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Scaffold Oligomers Control Prohead Expansion
To Be Published
6I4S
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BU of 6i4s by Molmil
Crystal structure of the disease-causing R447G mutant of the human dihydrolipoamide dehydrogenase
分子名称: Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2018-11-10
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
1P3H
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BU of 1p3h by Molmil
Crystal Structure of the Mycobacterium tuberculosis chaperonin 10 tetradecamer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 10 kDa chaperonin, CALCIUM ION
著者Roberts, M.M, Coker, A.R, Fossati, G, Mascagni, P, Coates, A.R.M, Wood, S.P, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-17
公開日2003-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mycobacterium tuberculosis chaperonin 10 heptamers self-associate through their biologically active loops
J.BACTERIOL., 185, 2003
6RH0
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BU of 6rh0 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
6MAB
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BU of 6mab by Molmil
1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain)
分子名称: ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase
著者Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S.
登録日2018-08-27
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation.
Mol.Microbiol., 113, 2020
4PVH
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BU of 4pvh by Molmil
Phl p 4 N158H variant, a glucose dehydrogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
著者Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
登録日2014-03-17
公開日2014-04-02
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
7Z6U
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BU of 7z6u by Molmil
Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2022-03-14
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8ESS
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BU of 8ess by Molmil
Myoglobin variant Mb-cIII complex
分子名称: Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+)
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2022-10-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
5EZF
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BU of 5ezf by Molmil
Racemic crystal structures of Pribnow box consensus promoter sequence (Pbca)
分子名称: CALCIUM ION, Complementary strand, Pribnow box template strand
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I.
登録日2015-11-26
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography.
Nucleic Acids Res., 44, 2016
8ESU
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BU of 8esu by Molmil
Myoglobin variant Mb-imi complex
分子名称: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2022-10-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
1IGD
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BU of 1igd by Molmil
THE THIRD IGG-BINDING DOMAIN FROM STREPTOCOCCAL PROTEIN G: AN ANALYSIS BY X-RAY CRYSTALLOGRAPHY OF THE STRUCTURE ALONE AND IN A COMPLEX WITH FAB
分子名称: PROTEIN G
著者Derrick, J.P, Wigley, D.B.
登録日1994-08-05
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The third IgG-binding domain from streptococcal protein G. An analysis by X-ray crystallography of the structure alone and in a complex with Fab.
J.Mol.Biol., 243, 1994
3IGY
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BU of 3igy by Molmil
Crystal structures of Leishmania mexicana phosphoglycerate mutase at high cobalt concentrations
分子名称: 2-PHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, COBALT (II) ION, ...
著者Nowicki, M.W, Kuaprasert, B, McNae, I.W, Morgan, H.P, Harding, M.M, Michels, P.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2009-07-29
公開日2009-10-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass
J.Mol.Biol., 394, 2009
8F9A
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BU of 8f9a by Molmil
Compound 11 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8T5S
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BU of 8t5s by Molmil
Cryo-EM structure of DRH-1 helicase and C-terminal domain bound to dsRNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dicer-related helicase, MAGNESIUM ION, ...
著者Consalvo, C.D, Donelick, H.M, Shen, P.S, Bass, B.L.
登録日2023-06-14
公開日2024-05-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Caenorhabditis elegans Dicer acts with the RIG-I-like helicase DRH-1 and RDE-4 to cleave dsRNA.
Elife, 13, 2024
8F99
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BU of 8f99 by Molmil
Compound 10 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9B
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BU of 8f9b by Molmil
Compound 19 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
2RKJ
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BU of 2rkj by Molmil
Cocrystal structure of a tyrosyl-tRNA synthetase splicing factor with a group I intron RNA
分子名称: RNA (238-MER), RNA (5'-R(P*GP*CP*UP*U)-3'), Tyrosyl-tRNA synthetase
著者Paukstelis, P.J, Chen, J.-H, Chase, E, Lambowitz, A.M, Golden, B.L.
登録日2007-10-16
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structure of a tyrosyl-tRNA synthetase splicing factor bound to a group I intron RNA.
Nature, 451, 2008
1IGC
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BU of 1igc by Molmil
IGG1 FAB FRAGMENT (MOPC21) COMPLEX WITH DOMAIN III OF PROTEIN G FROM STREPTOCOCCUS
分子名称: IGG1-KAPPA MOPC21 FAB (HEAVY CHAIN), IGG1-KAPPA MOPC21 FAB (LIGHT CHAIN), STREPTOCOCCAL PROTEIN G (DOMAIN III)
著者Derrick, J.P, Wigley, D.B.
登録日1994-08-05
公開日1995-06-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The third IgG-binding domain from streptococcal protein G. An analysis by X-ray crystallography of the structure alone and in a complex with Fab.
J.Mol.Biol., 243, 1994
8F9C
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BU of 8f9c by Molmil
Compound 20 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
1BDZ
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BU of 1bdz by Molmil
NMR STRUCTURE OF A 14 MER EXTENDED C-MYB COGNATE DNA SEQUENCE 5'D(APCPAPAP CPTPGPCP APGPTPTP GPT)3', MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*AP*CP*AP*AP*CP*TP*GP*CP*AP*GP*TP*TP*GP*T)-3')
著者Radha, P.K, Patel, P.K, Hosur, R.V.
登録日1998-05-12
公開日1998-12-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the extended Myb cognate sequence and modeling studies on specific DNA-Myb complexes.
Biochemistry, 37, 1998
8F9D
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BU of 8f9d by Molmil
Compound 21 bound to procaspase-6
分子名称: 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F98
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BU of 8f98 by Molmil
Compound 8 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F96
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BU of 8f96 by Molmil
Compound 3 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-18
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
6A2M
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BU of 6a2m by Molmil
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
登録日2018-06-12
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018

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