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3B5Z
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BU of 3b5z by Molmil
Crystal Structure of MsbA from Salmonella typhimurium with ADP Vanadate
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein msbA, VANADATE ION
著者Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Flexibility in the ABC transporter MsbA: Alternating access with a twist.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3FE4
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BU of 3fe4 by Molmil
Crystal Structure of Human Carbonic Anhydrase vi
分子名称: Carbonic anhydrase 6, GLYCEROL, MAGNESIUM ION
著者Pilka, E.S, Kochan, G, Krysztofinska, E, Muniz, J, Yue, W.W, Roos, A.K, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-11-27
公開日2008-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the secretory isozyme of mammalian carbonic anhydrases CA VI: implications for biological assembly and inhibitor development
Biochem.Biophys.Res.Commun., 419, 2012
3B5W
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BU of 3b5w by Molmil
Crystal Structure of Eschericia coli MsbA
分子名称: Lipid A export ATP-binding/permease protein msbA
著者Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (5.3 Å)
主引用文献Flexibility in the ABC transporter MsbA: Alternating access with a twist.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7AKZ
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BU of 7akz by Molmil
Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
分子名称: Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside
著者Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I.
登録日2020-10-02
公開日2022-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
To Be Published
2XCI
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BU of 2xci by Molmil
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form
分子名称: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R.
登録日2010-04-26
公開日2011-05-11
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
3B60
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BU of 3b60 by Molmil
Crystal Structure of MsbA from Salmonella typhimurium with AMPPNP, higher resolution form
分子名称: Lipid A export ATP-binding/permease protein msbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Flexibility in the ABC transporter MsbA: Alternating access with a twist.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3B5Y
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BU of 3b5y by Molmil
Crystal Structure of MsbA from Salmonella typhimurium with AMPPNP
分子名称: Lipid A export ATP-binding/permease protein msbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Flexibility in the ABC transporter MsbA: Alternating access with a twist.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2WCT
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BU of 2wct by Molmil
human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
5X8I
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BU of 5x8i by Molmil
Crystal structure of human CLK1 in complex with compound 25
分子名称: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
著者Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
登録日2017-03-02
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
1JH5
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BU of 1jh5 by Molmil
Crystal Structure of sTALL-1 of TNF family ligand
分子名称: TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B
著者Liu, Y, Xu, L, Opalka, N, Shu, H.-B, Zhang, G.
登録日2001-06-27
公開日2002-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of sTALL-1 reveals a virus-like assembly of TNF family ligands.
Cell(Cambridge,Mass.), 108, 2002
2LQV
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BU of 2lqv by Molmil
YebF
分子名称: Protein yebF
著者Prehna, G, Zhang, G, Gong, X, Duszyk, M, Okon, M, Mcintosh, L.P, Weiner, J.H, Strynadka, N.C.J.
登録日2012-03-16
公開日2012-06-13
最終更新日2024-11-27
実験手法SOLUTION NMR
主引用文献A Protein Export Pathway Involving Escherichia coli Porins.
Structure, 20, 2012
5DUJ
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BU of 5duj by Molmil
Crystal structure of ldtMt2 in complex with Faropenem adduct
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, BETA-MERCAPTOETHANOL, L,D-transpeptidase 2, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DU7
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BU of 5du7 by Molmil
Crystal structure of ldtMt2 at 1.79 Angstrom resolution
分子名称: L,D-transpeptidase 2
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E1I
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BU of 5e1i by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210
分子名称: (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ...
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-29
公開日2016-10-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E51
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BU of 5e51 by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct
分子名称: (3R)-3-hydroxybutanal, L,D-transpeptidase 1
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-10-07
公開日2016-10-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DVP
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BU of 5dvp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-21
公開日2016-09-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DZP
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BU of 5dzp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B
分子名称: (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-25
公開日2016-10-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E5L
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BU of 5e5l by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
分子名称: L,D-transpeptidase 1
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-10-08
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
1LVH
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BU of 1lvh by Molmil
The Structure of Phosphorylated beta-phosphoglucomutase from Lactoccocus lactis to 2.3 angstrom resolution
分子名称: MAGNESIUM ION, beta-phosphoglucomutase
著者Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
登録日2002-05-28
公開日2002-08-14
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Caught in the act: the structure of phosphorylated beta-phosphoglucomutase from Lactococcus lactis.
Biochemistry, 41, 2002
2YCQ
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BU of 2ycq by Molmil
Crystal structure of checkpoint kinase 2 in complex with inhibitor PV1115
分子名称: N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
8YJG
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BU of 8yjg by Molmil
Crystal structure of the nucleotide-binding domain of Candida glabrata Hsp90
分子名称: ATP-dependent molecular chaperone HSC82
著者Tan, L, Li, X, Zhang, G, Chen, L, Im, Y.J.
登録日2024-03-01
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the nucleotide-binding domain of Candida glabrata Hsp90
To Be Published
4ZFQ
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BU of 4zfq by Molmil
Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form)
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5
著者Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A.
登録日2015-04-21
公開日2015-09-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
2YCF
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BU of 2ycf by Molmil
Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531
分子名称: (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ...
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-14
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
8JLV
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Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
分子名称: AB hydrolase-1 domain-containing protein
著者Xiang, L, Wang, M, Zhang, G, Zhou, J.
登録日2023-06-02
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.998636 Å)
主引用文献Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
2YCS
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BU of 2ycs by Molmil
Crystal structure of checkpoint kinase 2 in complex with PV788
分子名称: N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011

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