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5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
Descriptor: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-02
Release date:2019-12-18
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
Deposit date:2019-05-07
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
3UMZ
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BU of 3umz by Molmil
Crystal Structure of the human MDC1 FHA Domain
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-15
Release date:2012-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
Descriptor: Peroxiredoxin-1, UNKNOWN LIGAND
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
Descriptor: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
Descriptor: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lou, Z.Y, Yan, L.M, Ma, Y.Y.
Deposit date:2011-11-05
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012
3UNM
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BU of 3unm by Molmil
Crystal Structure of The Human MDC1 FHA Domain
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3UZP
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BU of 3uzp by Molmil
crystal structure of ck1d with PF670462 from P21 crystal form
Descriptor: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta
Authors:Huang, X.
Deposit date:2011-12-07
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
3UNN
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BU of 3unn by Molmil
Monomeric structure of the human MDC1 FHA domain in complex with an MDC1 phospho-T4 peptide
Descriptor: Mediator of DNA damage checkpoint protein 1, phospho-T4 peptide from Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3UYS
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BU of 3uys by Molmil
Crystal structure of apo human ck1d
Descriptor: Casein kinase I isoform delta, SULFATE ION
Authors:Huang, X.
Deposit date:2011-12-06
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
3UYT
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BU of 3uyt by Molmil
crystal structure of ck1d with PF670462 from P1 crystal form
Descriptor: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION
Authors:Huang, X.
Deposit date:2011-12-06
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
1M8S
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BU of 1m8s by Molmil
Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 5.9)
Descriptor: 1,4-BUTANEDIOL, CADMIUM ION, phospholipase a2
Authors:Xu, S, Gu, L, Zhou, Y, Lin, Z.
Deposit date:2002-07-25
Release date:2003-02-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
1M8R
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BU of 1m8r by Molmil
Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4)
Descriptor: 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2
Authors:Xu, S, Gu, L, Zhou, Y, Lin, Z.
Deposit date:2002-07-25
Release date:2003-02-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
4BCF
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BU of 4bcf by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCQ
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BU of 4bcq by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCO
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BU of 4bco by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCN
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BU of 4bcn by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCM
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BU of 4bcm by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCI
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BU of 4bci by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCH
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BU of 4bch by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.958 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
8T3K
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BU of 8t3k by Molmil
Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH, ...
Authors:Tang, Q, Mchaourab, H.
Deposit date:2023-06-07
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8AYV
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BU of 8ayv by Molmil
Crystal structure of the Malonyl-ACP Decarboxylase MadB from Pseudomonas putida
Descriptor: YiiD_C domain-containing protein
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-09-03
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.044 Å)
Cite:Initiation of fatty acid biosynthesis in Pseudomonas putida KT2440.
Metab Eng, 76, 2023
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
Authors:Li, Z, Yu, F, Cao, S.
Deposit date:2023-01-18
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021

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PDB entries from 2024-08-14

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