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3THB
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BU of 3thb by Molmil
Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor
Descriptor: 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Sintchak, M.D.
Deposit date:2011-08-18
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905).
J.Med.Chem., 55, 2012
3Q4B
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BU of 3q4b by Molmil
Clinically Useful Alkyl Amine Renin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ...
Authors:Wu, Z, McKeever, B.M.
Deposit date:2010-12-23
Release date:2011-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
3Q5H
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BU of 3q5h by Molmil
Clinically Useful Alkyl Amine Renin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ...
Authors:Wu, Z, McKeever, B.M.
Deposit date:2010-12-28
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
4YZH
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BU of 4yzh by Molmil
Structure of the Arabidopsis TAP38/PPH1 in complex with pLhcb1 phosphopeptide substrate
Descriptor: Chlorophyll a-b binding protein 2, chloroplastic, MANGANESE (II) ION, ...
Authors:Wei, X.P, Guo, J.T, Li, M, Liu, Z.F.
Deposit date:2015-03-25
Release date:2015-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Mechanism Underlying the Specific Recognition between the Arabidopsis State-Transition Phosphatase TAP38/PPH1 and Phosphorylated Light-Harvesting Complex Protein Lhcb1
Plant Cell, 27, 2015
4YZG
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BU of 4yzg by Molmil
Structure of the Arabidopsis TAP38/PPH1, a state-transition phosphatase responsible for dephosphorylation of LHCII
Descriptor: MANGANESE (II) ION, Protein phosphatase 2C 57, SULFATE ION
Authors:Wei, X.P, Guo, J.T, Li, M, Liu, Z.F.
Deposit date:2015-03-25
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Mechanism Underlying the Specific Recognition between the Arabidopsis State-Transition Phosphatase TAP38/PPH1 and Phosphorylated Light-Harvesting Complex Protein Lhcb1
Plant Cell, 27, 2015
7XUP
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BU of 7xup by Molmil
Crystal structure of TPe3.0
Descriptor: Transcriptional regulator, PadR-like family
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7XUQ
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BU of 7xuq by Molmil
Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
Descriptor: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7XEM
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BU of 7xem by Molmil
Cholesterol bound state of mTRPV2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEO
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BU of 7xeo by Molmil
MbetaCD treated state of mTRPV2
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
8JON
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BU of 8jon by Molmil
Structure of a synthetic circadian clock protein KaiC mutant of cyanobacteria Synechococcus elongatus PCC 7942
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, ...
Authors:Jia, X, Zhang, Q, Li, S, Guo, J.
Deposit date:2023-06-07
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Adaptation of ancient cyanobacterial clock to the day length ~ 0.95 Ga ago
To Be Published
4XZ7
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BU of 4xz7 by Molmil
Crystal structure of a TGase
Descriptor: Putative uncharacterized protein
Authors:Yu, J, Ge, J, Yang, M.
Deposit date:2015-02-04
Release date:2015-06-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis
J.Biol.Chem., 290, 2015
7WKS
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BU of 7wks by Molmil
Apo state of AtPIN3
Descriptor: Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7WKW
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BU of 7wkw by Molmil
NPA bound state of AtPIN3
Descriptor: 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
3DX1
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BU of 3dx1 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
Descriptor: (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX3
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BU of 3dx3 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol
Descriptor: (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX0
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BU of 3dx0 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75
Descriptor: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX4
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BU of 3dx4 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
Descriptor: (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
7VQ1
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BU of 7vq1 by Molmil
Structure of Apo-hsTRPM2 channel
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
Deposit date:2021-10-18
Release date:2021-12-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7VQ2
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BU of 7vq2 by Molmil
Structure of Apo-hsTRPM2 channel TM domain
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
Deposit date:2021-10-18
Release date:2021-12-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
3GW5
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BU of 3gw5 by Molmil
Crystal structure of human renin complexed with a novel inhibitor
Descriptor: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, Z, McKeever, B.M.
Deposit date:2009-03-31
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009

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