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2VTL
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BU of 2vtl by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTT
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BU of 2vtt by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTH
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BU of 2vth by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTP
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BU of 2vtp by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W05
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BU of 2w05 by Molmil
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M.
Deposit date:2008-08-08
Release date:2008-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2VTM
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BU of 2vtm by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-20
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VV9
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BU of 2vv9 by Molmil
CDK2 in complex with an imidazole piperazine
Descriptor: 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2
Authors:Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M.
Deposit date:2008-06-04
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode.
Bioorg.Med.Chem.Lett., 18, 2008
7T1Z
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BU of 7t1z by Molmil
Structure of the Fbw7-Skp1-MycNdegron complex
Descriptor: F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ...
Authors:Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
Deposit date:2021-12-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L.F.
Deposit date:2020-03-29
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
1JEQ
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BU of 1jeq by Molmil
Crystal Structure of the Ku Heterodimer
Descriptor: KU70, KU80
Authors:Walker, J.R, Corpina, R.A, Goldberg, J.
Deposit date:2001-06-18
Release date:2001-08-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair.
Nature, 412, 2001
6ISE
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BU of 6ise by Molmil
Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S.
Deposit date:2018-11-16
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
To be published
6O9M
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BU of 6o9m by Molmil
Structure of the human apo TFIIH
Descriptor: CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ...
Authors:Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I.
Deposit date:2019-03-14
Release date:2019-05-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Transcription preinitiation complex structure and dynamics provide insight into genetic diseases.
Nat.Struct.Mol.Biol., 26, 2019
8VAP
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BU of 8vap by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Fully-Open conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAM
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BU of 8vam by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Semi-Open conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAS
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BU of 8vas by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in an Altered-Collar conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAN
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BU of 8van by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in an Initial-Binding conformation
Descriptor: Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Landeck, J.T, Pajak, J, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAR
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BU of 8var by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA2 conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAL
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BU of 8val by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Open-DNAp/t conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAQ
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BU of 8vaq by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA1 conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
7T3A
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BU of 7t3a by Molmil
GATOR1-RAG-RAGULATOR - Inhibitory Complex
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3B
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BU of 7t3b by Molmil
GATOR1-RAG-RAGULATOR - GAP Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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BU of 7t3c by Molmil
GATOR1-RAG-RAGULATOR - Dual Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022

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