5DI0
 
 | | Crystal structure of Dln1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | Deposit date: | 2015-08-31 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
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3G5B
 | | The structure of UNC5b cytoplasmic domain | | Descriptor: | Netrin receptor UNC5B, PHOSPHATE ION | | Authors: | Wang, R, Wei, Z, Zhang, M. | | Deposit date: | 2009-02-04 | | Release date: | 2009-04-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Autoinhibition of UNC5b revealed by the cytoplasmic domain structure of the receptor
Mol.Cell, 33, 2009
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6CAM
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9FE6
 | | Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae | | Descriptor: | MAGNESIUM ION, SDR family oxidoreductase | | Authors: | Kapur, B, Nar, H. | | Deposit date: | 2024-05-17 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.875 Å) | | Cite: | In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
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9FEB
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1IJS
 | | CPV (STRAIN D) mutant A300D, complex (VIRAL COAT/DNA), VP2, PH=7.5, T=4 DEGREES C | | Descriptor: | DNA (5'-D(*AP*C)-3'), DNA (5'-D(*CP*CP*AP*CP*CP*CP*CP*AP*A)-3'), PROTEIN (PARVOVIRUS COAT PROTEIN) | | Authors: | Llamas-Saiz, A.L, Agbandje-McKenna, M, Parker, J.S.L, Wahid, A.T.M, Parrish, C.R, Rossmann, M.G. | | Deposit date: | 1996-09-12 | | Release date: | 1996-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural analysis of a mutation in canine parvovirus which controls antigenicity and host range.
Virology, 225, 1996
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8SUR
 | | TMEM16F bound with Niclosamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ... | | Authors: | Feng, S, Cheng, Y. | | Deposit date: | 2023-05-13 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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8TAG
 | | TMEM16F, with Calcium and PIP2, no inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | | Authors: | Feng, S, Cheng, Y. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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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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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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8TB1
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3MVM
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | | Descriptor: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
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3MVL
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
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7CBL
 | | Cryo-EM structure of the flagellar LP ring from Salmonella | | Descriptor: | Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-12 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG7
 | | Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella | | Descriptor: | Flagellar M-ring protein | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CGB
 | | Cryo-EM structure of the flagellar hook from Salmonella | | Descriptor: | Flagellar hook protein FlgE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-07-01 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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8UF5
 | | Catalytic domain of GtfB in complex with inhibitor G43 | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Schormann, N, Deivanayagam, C, Velu, S. | | Deposit date: | 2023-10-03 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
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7CGO
 | | Cryo-EM structure of the flagellar motor-hook complex from Salmonella | | Descriptor: | Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ... | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-07-01 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG4
 | | Cryo-EM structure of the flagellar export apparatus with FliE from Salmonella | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar hook-basal body complex protein FliE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CBM
 | | Cryo-EM structure of the flagellar distal rod with partial hook from Salmonella | | Descriptor: | Flagellar basal-body rod protein FlgF, Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-12 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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7CG0
 | | Cryo-EM structure of the flagellar proximal rod with FliF peptides from Salmonella | | Descriptor: | Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ... | | Authors: | Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q. | | Deposit date: | 2020-06-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
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4FDL
 | | Crystal structure of Caspase-7 | | Descriptor: | Caspase-7 | | Authors: | Kabaleeswaran, V. | | Deposit date: | 2012-05-28 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
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6ECQ
 | | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899 | | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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4FEA
 | | Crystal structure of CASPASE-7 in Complex with allosteric inhibitor | | Descriptor: | Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper | | Authors: | Kabaleeswaran, V. | | Deposit date: | 2012-05-29 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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