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7M33
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BU of 7m33 by Molmil
The structure of Bacillus subtilis BmrCD in the inward-facing conformation bound to Hoechst-33342 and ATP
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH, ...
Authors:Thaker, T.M, Tomasiak, T.M.
Deposit date:2021-03-18
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Asymmetric drug binding in an ATP-loaded inward-facing state of an ABC transporter.
Nat.Chem.Biol., 18, 2022
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
4LJY
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BU of 4ljy by Molmil
Crystal structure of RNA splicing effector Prp5 in complex with ADP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
Descriptor: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LU9
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BU of 4lu9 by Molmil
Crystal structure of E.coli SbcD at 2.5 angstrom resolution
Descriptor: Exonuclease subunit SbcD, GLYCEROL
Authors:Liu, S, Tian, L.F, Yan, X.X, Liang, D.C.
Deposit date:2013-07-25
Release date:2014-08-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair.
Acta Crystallogr.,Sect.D, 70, 2014
4M0V
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BU of 4m0v by Molmil
Crystal structure of E.coli SbcD with Mn2+
Descriptor: Exonuclease subunit SbcD, GLYCEROL, MANGANESE (II) ION
Authors:Liu, S, Tian, L.F, Yan, X.X, Liang, D.C.
Deposit date:2013-08-02
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for DNA recognition and nuclease processing by the Mre11 homologue SbcD in double-strand breaks repair.
Acta Crystallogr.,Sect.D, 70, 2014
6A72
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BU of 6a72 by Molmil
Copper transporter protein
Descriptor: ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum
Authors:Chen, W.B.
Deposit date:2018-07-01
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
6A71
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BU of 6a71 by Molmil
Crystal Structure of Human ATP7B and TM Complex
Descriptor: ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, W.B.
Deposit date:2018-06-30
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
5WLS
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BU of 5wls by Molmil
Crystal Structure of a Pollen Receptor Kinase 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pollen receptor-like kinase 3
Authors:Xu, G, Chakraborty, S, Pan, H.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:The Extracellular Domain of Pollen Receptor Kinase 3 is structurally similar to the SERK family of co-receptors.
Sci Rep, 8, 2018
5YEJ
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BU of 5yej by Molmil
Crystal structure of BioQ with its naturel double-stranded DNA operator
Descriptor: DNA (5'-D(*AP*CP*CP*TP*GP*AP*AP*CP*AP*CP*CP*GP*TP*TP*CP*AP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*TP*GP*AP*AP*CP*GP*GP*TP*GP*TP*TP*CP*AP*GP*GP*T)-3'), TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
5YEK
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BU of 5yek by Molmil
Crystal structure of BioQ
Descriptor: TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
4G8B
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BU of 4g8b by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone
Descriptor: Alpha/beta hydrolase fold protein, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9E
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BU of 4g9e by Molmil
Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-butanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.088 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G5X
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BU of 4g5x by Molmil
Crystal structures of N-acyl homoserine lactonase AidH
Descriptor: Alpha/beta hydrolase fold protein
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-18
Release date:2013-01-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G8C
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BU of 4g8c by Molmil
Crystal structures of N-acyl homoserine lactonase AidH E219G mutant complexed with N-hexanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-hexanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G8D
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BU of 4g8d by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant
Descriptor: Alpha/beta hydrolase fold protein
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9G
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BU of 4g9g by Molmil
Crystal structures of N-acyl homoserine lactonase AidH E219G mutant
Descriptor: Alpha/beta hydrolase fold protein, NICKEL (II) ION
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
Descriptor: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
Authors:Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
Deposit date:2020-02-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
7DXF
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BU of 7dxf by Molmil
Structure of BTDM-bound human TRPC6 nanodisc at 2.9 angstrom in high calcium state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chen, L, Guo, W.
Deposit date:2021-01-18
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Neuron, 110, 2022
7DXC
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BU of 7dxc by Molmil
Structure of TRPC3 at 3.06 angstrom in low calcium state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL HEMISUCCINATE, Short transient receptor potential channel 3, ...
Authors:Chen, L, Guo, W.
Deposit date:2021-01-18
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Neuron, 110, 2022
7DXG
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BU of 7dxg by Molmil
Structure of SAR7334-bound TRPC6 at 2.9 angstrom
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile, CALCIUM ION, ...
Authors:Chen, L, Guo, W.
Deposit date:2021-01-18
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Neuron, 110, 2022

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数据于2024-07-24公开中

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