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8J5U
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BU of 8j5u by Molmil
Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide
分子名称: Endogenous oligopeptide, Uncharacterized protein Rv1280c
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5R
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BU of 8j5r by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state
分子名称: IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5S
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BU of 8j5s by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state
分子名称: Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5T
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BU of 8j5t by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the catalytic intermediate state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5Q
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BU of 8j5q by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state
分子名称: Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3I7I
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BU of 3i7i by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
著者Farrow, N.A, Margarit, S.M.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
分子名称: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
著者Qian, K.C.
登録日2009-03-05
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5XBL
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BU of 5xbl by Molmil
Structure of nuclease in complex with associated protein
分子名称: Associated protein, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER)
著者Dong, D, Guo, M, Wang, S, Zhu, Y, Huang, Z.
登録日2017-03-20
公開日2017-06-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Structural basis of CRISPR-SpyCas9 inhibition by an anti-CRISPR protein
Nature, 546, 2017
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
分子名称: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2020-08-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
3QAH
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BU of 3qah by Molmil
Crystal structure of apo-form human MOF catalytic domain
分子名称: Probable histone acetyltransferase MYST1, ZINC ION
著者Sun, B, Tang, Q, Zhong, C, Ding, J.
登録日2011-01-11
公開日2011-07-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274
Cell Res., 21, 2011
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUO
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BU of 6iuo by Molmil
Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
8JA8
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BU of 8ja8 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAC
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BU of 8jac by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16
分子名称: N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA7
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BU of 8ja7 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose
分子名称: Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAB
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BU of 8jab by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAD
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BU of 8jad by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
分子名称: BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA9
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BU of 8ja9 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAA
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BU of 8jaa by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
7WIX
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BU of 7wix by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
著者Zhang, B, Sun, S, Yang, H, Rao, Z.
登録日2022-01-05
公開日2023-01-25
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023

 

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