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5YPN
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BU of 5ypn by Molmil
Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ...
著者Feng, H, Liu, W, Wang, D.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5YPM
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Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex
分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ...
著者Feng, H, Wang, D, Liu, W.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5ENH
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BU of 5enh by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENB
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BU of 5enb by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENI
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BU of 5eni by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5Z8O
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BU of 5z8o by Molmil
Structural of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis
分子名称: Cyclase/dehydrase
著者Zheng, S, Liu, W, Bi, L.
登録日2018-01-31
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and genetic analysis of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis.
FEBS Lett., 592, 2018
7WYI
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BU of 7wyi by Molmil
Native Photosystem I of Chlamydomonas reinhardtii
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-16
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
7WZN
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PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5HSM
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BU of 5hsm by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887
分子名称: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
1QM4
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BU of 1qm4 by Molmil
Methionine Adenosyltransferase Complexed with a L-Methionine Analogue
分子名称: L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, METHIONINE ADENOSYLTRANSFERASE, ...
著者Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
登録日1999-09-20
公開日2000-09-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献The Crystal Structure of Tetrameric Methionine Adenosyltransferase from Rat Liver Reveals the Methionine-Binding Site
J.Mol.Biol., 300, 2000
7F70
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BU of 7f70 by Molmil
Crystal structure of Rv3094c
分子名称: Rv3094c
著者Wang, Z.X, Ouyang, S.Y, Zhang, H.T.
登録日2021-06-26
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
7F74
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Rv3094c in complex with FMN.
分子名称: FLAVIN MONONUCLEOTIDE, Rv3094c
著者Wang, Z.X, Ouyang, S.Y.
登録日2021-06-27
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
8PW2
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BU of 8pw2 by Molmil
Protein p6 from bacteriophage phi29, C-terminal delta31 truncated version
分子名称: Histone-like protein p6
著者Alcorlo Pages, M, Hermoso Dominguez, J.
登録日2023-07-19
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29.
Nucleic Acids Res., 52, 2024
8PW4
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BU of 8pw4 by Molmil
Protein p6 from bacteriophage phi29, C-terminal delta20 truncated version
分子名称: Histone-like protein p6
著者Alcorlo Pages, M, Hermoso Dominguez, J.
登録日2023-07-19
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29.
Nucleic Acids Res., 52, 2024
7F72
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BU of 7f72 by Molmil
Rv3094c in complex with FAD and ETH.
分子名称: 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c
著者Wang, Z.X, Ouyang, S.Y.
登録日2021-06-27
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
3X3M
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Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
分子名称: CALCIUM ION, ESX-1 secretion system protein EccB1
著者Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
登録日2015-01-24
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
1I9B
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BU of 1i9b by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYLCHOLINE BINDING PROTEIN, CALCIUM ION
著者Brejc, K, van Dijk, W.J, Klaassen, R, Schuurmans, M, van der Oost, J, Smit, A.B, Sixma, T.K.
登録日2001-03-18
公開日2001-05-16
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors.
Nature, 411, 2001
3WY7
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BU of 3wy7 by Molmil
Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF
分子名称: 8-amino-7-oxononanoate synthase
著者Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J.
登録日2014-08-20
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
3X3N
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Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
分子名称: CALCIUM ION, ESX-1 secretion system protein EccB1
著者Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
登録日2015-01-24
公開日2015-12-09
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
3ZME
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BU of 3zme by Molmil
Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242
分子名称: 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Wilcken, R.
登録日2013-02-07
公開日2013-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Small molecule induced reactivation of mutant p53 in cancer cells.
Nucleic Acids Res., 41, 2013
5EBC
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BU of 5ebc by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state III)
分子名称: CALCIUM ION, ESX-1 secretion system protein eccB1
著者Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J.
登録日2015-10-19
公開日2016-02-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 72, 2016
1H2D
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BU of 1h2d by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant).
分子名称: 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40
著者Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
登録日2002-08-06
公開日2003-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
1H2C
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Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant).
分子名称: 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40
著者Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
登録日2002-08-05
公開日2003-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
5EBD
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Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state IV)
分子名称: CALCIUM ION, CHLORIDE ION, ESX-1 secretion system protein eccB1
著者Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J.
登録日2015-10-19
公開日2016-02-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 72, 2016

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