8R9B
 
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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8R9U
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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6MCP
 | | L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ... | | Authors: | Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2018-09-01 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6N0T
 | | tRNA ligase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.511 Å) | | Cite: | Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
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6CFF
 | | Stimulator of Interferon Genes Human | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein | | Authors: | Fernandez, D, Li, L, Ergun, S.L. | | Deposit date: | 2018-02-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
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6N0V
 | | tRNA ligase | | Descriptor: | MANGANESE (II) ION, tRNA ligase | | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-01-09 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
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8R99
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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8R9O
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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7F03
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | Deposit date: | 2021-06-03 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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7F02
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | Deposit date: | 2021-06-03 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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7F04
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with Heme and ATP. | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, ... | | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | Deposit date: | 2021-06-03 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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6CY7
 | | Human Stimulator of Interferon Genes | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ... | | Authors: | Fernandez, D, Li, L, Ergun, S.L. | | Deposit date: | 2018-04-04 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
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6K8K
 | | Crystal structure of Arabidopsis thaliana BIC2-CRY2 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wang, X, Ma, L, Guan, Z, Yin, P. | | Deposit date: | 2019-06-12 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2.
Nat.Struct.Mol.Biol., 27, 2020
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7NN0
 | | Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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7N11
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7MXB
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7MXJ
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7MXK
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6OPK
 | | Phosphorylated ERK2 with Vertex-11e | | Descriptor: | 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1 | | Authors: | Vigers, G.P, Rudolph, J. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7V0C
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, Palindromic DNA18, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
To Be Published
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7V0R
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA | | Descriptor: | Cyclic GMP-AMP synthase, MAGNESIUM ION, Palindromic DNA18, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA
To Be Published
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8GOF
 | | Structure of hSLC19A1+PMX | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-08-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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8GOE
 | | Structure of hSLC19A1+5-MTHF | | Descriptor: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-08-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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5U7X
 | | Crystal structure of a nucleoside triphosphate diphosphohydrolase (NTPDase) from the legume Vigna unguiculata subsp. cylindrica (Dolichos biflorus) in complex with phosphate and manganese | | Descriptor: | MANGANESE (II) ION, Nod factor binding lectin-nucleotide phosphohydrolase, PHOSPHATE ION | | Authors: | Cumming, M.H, Summers, E.L, Oulavallickal, T, Roberts, N, Arcus, V.L. | | Deposit date: | 2016-12-12 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures and kinetics for plant nucleoside triphosphate diphosphohydrolases support a domain motion catalytic mechanism.
Protein Sci., 26, 2017
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5OFU
 | | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2017-07-11 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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