5FBO
 
 | | BTK-inhibitor co-structure | | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
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5FBN
 | | BTK kinase domain with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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5Z2N
 | | Structure of Orp1L N-terminal Domain | | Descriptor: | Oxysterol-binding protein-related protein 1 | | Authors: | Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H. | | Deposit date: | 2018-01-03 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
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5GV2
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5Z2M
 | | Structure of Orp1L/Rab7 complex | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Oxysterol-binding protein-related protein 1, ... | | Authors: | Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H. | | Deposit date: | 2018-01-03 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.142 Å) | | Cite: | A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
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5WUF
 | | Structural basis for conductance through TRIC cation channels | | Descriptor: | CADMIUM ION, Putative membrane protein | | Authors: | Mao, Y, Gao, F, Su, M, Wang, X.H, Zeng, Y, 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: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
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4Q2V
 | | Crystal Structure of Ricin A chain complexed with Baicalin inhibitor | | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin | | Authors: | Deng, X, Li, X, Dong, J, Chen, Y. | | Deposit date: | 2014-04-10 | | Release date: | 2015-04-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
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4S1T
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7RPP
 | | Crystal structure of human CEACAM1 with GFCC' and ABED face | | Descriptor: | 1,2-ETHANEDIOL, Carcinoembryonic antigen-related cell adhesion molecule 1 | | Authors: | Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Petsko, G.A, Blumberg, R.S. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of human CEACAM1 oligomerization.
Commun Biol, 5, 2022
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7SSE
 | | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
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3BYV
 | | Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Rhoptry kinase | | Authors: | Wernimont, A.K, Lunin, V.V, Yang, C, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Sibley, D, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-16 | | Release date: | 2008-01-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
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4HRV
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4J4L
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4JS0
 | | Complex of Cdc42 with the CRIB-PR domain of IRSp53 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, Cell division control protein 42 homolog, ... | | Authors: | Kast, D.J, Dominguez, R. | | Deposit date: | 2013-03-22 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of IRSp53 inhibition and combinatorial activation by Cdc42 and downstream effectors.
Nat.Struct.Mol.Biol., 21, 2014
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4K17
 | | Crystal Structure of mouse CARMIL residues 1-668 | | Descriptor: | CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, Leucine-rich repeat-containing protein 16A, ... | | Authors: | Zwolak, A, Dominguez, R. | | Deposit date: | 2013-04-04 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.895 Å) | | Cite: | CARMIL leading edge localization depends on a non-canonical PH domain and dimerization.
Nat Commun, 4, 2013
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6KHY
 | | The crystal structure of AsfvAP:AG | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2019-07-16 | | Release date: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (3.008 Å) | | Cite: | A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
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6JUZ
 | | Crystal Structure of N-terminal domain of ArgZ(N71S) covalently bond to a reaction intermediate | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhuang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6KI3
 | | The crystal structure of AsfvAP:dF commplex | | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ... | | Authors: | Chen, Y, Gan, J. | | Deposit date: | 2019-07-17 | | Release date: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (2.354 Å) | | Cite: | A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
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6IMK
 | | The crystal structure of AsfvLIG:CG complex | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IMN
 | | The crystal structure of AsfvLIG:CT2 complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IML
 | | The crystal structure of AsfvLIG:CT1 complex | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IMJ
 | | The crystal structure of Se-AsfvLIG:DNA complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6JV0
 | | Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JV1
 | | Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | ARGININE, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JUY
 | | Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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