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4RXP
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BU of 4rxp by Molmil
The structure of GTP-dATP-bound SAMHD1
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4S0N
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BU of 4s0n by Molmil
Crystal Structure of HLTF HIRAN Domain bound to DNA
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', GLYCEROL, Helicase-like transcription factor, ...
Authors:Chavez, D.A, Eichman, B.F.
Deposit date:2015-01-02
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:HLTF's Ancient HIRAN Domain Binds 3' DNA Ends to Drive Replication Fork Reversal.
Mol.Cell, 58, 2015
4TNY
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BU of 4tny by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dGTP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
2W1F
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BU of 2w1f by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1G
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BU of 2w1g by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1C
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BU of 2w1c by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4TVQ
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BU of 4tvq by Molmil
CCM3 in complex with CCM2 LD-like motif
Descriptor: Cerebral cavernous malformations 2 protein, Cerebral cavernous malformations 3 protein
Authors:Li, X, Zhang, R, Fisher, O.S, Boggon, T.J.
Deposit date:2014-06-27
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CCM2-CCM3 interaction stabilizes their protein expression and permits endothelial network formation.
J.Cell Biol., 208, 2015
2V7Z
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BU of 2v7z by Molmil
Crystal structure of the 70-kDa heat shock cognate protein from Rattus norvegicus in post-ATP hydrolysis state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK COGNATE 71 KDA PROTEIN, PHOSPHATE ION
Authors:Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D.
Deposit date:2007-08-02
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation.
J.Biol.Chem., 283, 2008
4UND
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BU of 4und by Molmil
HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION
Authors:Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H.
Deposit date:2014-05-27
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
4UP1
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BU of 4up1 by Molmil
Crystal structure of native human Thymidylate synthase in active form
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Deschamps, P, Rety, S, Leulliot, N.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Crystal structure of the active form of native human thymidylate synthase in the absence of bound substrates.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4UI9
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BU of 4ui9 by Molmil
Atomic structure of the human Anaphase-Promoting Complex
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Chang, L, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2015-03-27
Release date:2015-06-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Atomic Structure of the Apc and its Mechanism of Protein Ubiquitination
Nature, 522, 2015
4TZ4
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BU of 4tz4 by Molmil
Crystal Structure of Human Cereblon in Complex with DDB1 and Lenalidomide
Descriptor: DNA damage-binding protein 1, Protein cereblon, S-Lenalidomide, ...
Authors:Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B, Riley, M.
Deposit date:2014-07-09
Release date:2014-08-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
To Be Published
2W1E
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BU of 2w1e by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4UG0
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BU of 4ug0 by Molmil
STRUCTURE OF THE HUMAN 80S RIBOSOME
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S RIBOSOMAL PROTEIN, ...
Authors:Khatter, H, Myasnikov, A.G, Natchiar, S.K, Klaholz, B.P.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the human 80S ribosome
NATURE, 520, 2015
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
4UIY
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BU of 4uiy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-dioxo-1-thian-4-yl)- 5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c- pyridine-2-carboximidamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
7HSC
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BU of 7hsc by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES
Descriptor: PROTEIN (HEAT SHOCK COGNATE 70 KD PROTEIN 1)
Authors:Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P.
Deposit date:1999-05-03
Release date:1999-05-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
2W1D
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BU of 2w1d by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
7K9X
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BU of 7k9x by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x1)
Descriptor: Fructose-bisphosphate aldolase A
Authors:Kearns, S.K, Cash, J.N, Cianfrocco, M.A.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
Descriptor: Matrix protein VP40, PENTAETHYLENE GLYCOL
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
4UIX
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BU of 4uix by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ...
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
2RRU
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BU of 2rru by Molmil
Solution structure of the UBA omain of p62 and its interaction with ubiquitin
Descriptor: Sequestosome-1
Authors:Isogai, S, Morimoto, D, Arita, K, Unzai, S, Tenno, T, Hasegawa, J, Sou, Y, Komatsu, M, Tanaka, K, Shirakawa, M, Tochio, H.
Deposit date:2011-06-09
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal structure of the UBA omain of p62 and its interaction with ubiquitin
To be Published
2RVL
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BU of 2rvl by Molmil
Solution structure of the chromodomain of HP1alpha with the N-terminal tail
Descriptor: Chromobox protein homolog 5
Authors:Kawaguchi, A, Nishimura, Y.
Deposit date:2015-12-18
Release date:2016-03-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended string-like binding of the phosphorylated HP1 alpha N-terminal tail to the lysine 9-methylated histone H3 tail
Sci Rep, 6, 2016
7JZT
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BU of 7jzt by Molmil
Low resolution crystal structure of Zaire Ebola virus VP40 in space group P6422
Descriptor: Matrix protein VP40
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020

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數據於2024-08-07公開中

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