2WA5
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![BU of 2wa5 by Molmil](/molmil-images/mine/2wa5) | Crystal structure of human filamin B actin binding domain at 1.9 Angstroms resolution | Descriptor: | CARBONATE ION, FILAMIN-B, SULFATE ION | Authors: | Sawyer, G.M, Clark, A.R, Robertson, S.P, Sutherland-Smith, A.J. | Deposit date: | 2009-02-03 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Disease-Associated Substitutions in the Filamin B Actin Binding Domain Confer Enhanced Actin Binding Affinity in the Absence of Major Structural Disturbance: Insights from the Crystal Structures of Filamin B Actin Binding Domains. J.Mol.Biol., 390, 2009
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2WA7
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![BU of 2wa7 by Molmil](/molmil-images/mine/2wa7) | Structure of the M202V mutant of human filamin b actin binding domain at 1.85 Angstrom resolution | Descriptor: | CACODYLATE ION, CARBONATE ION, FILAMIN-B | Authors: | Sawyer, G.M, Clark, A.R, Robertson, S.P, Sutherland-Smith, A.J. | Deposit date: | 2009-02-03 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Disease-Associated Substitutions in the Filamin B Actin Binding Domain Confer Enhanced Actin Binding Affinity in the Absence of Major Structural Disturbance: Insights from the Crystal Structures of Filamin B Actin Binding Domains. J.Mol.Biol., 390, 2009
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7T96
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![BU of 7t96 by Molmil](/molmil-images/mine/7t96) | Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-18 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
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7T94
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![BU of 7t94 by Molmil](/molmil-images/mine/7t94) | Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
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4ELB
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![BU of 4elb by Molmil](/molmil-images/mine/4elb) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | Authors: | Bourne, C.R, Barrow, W.W. | Deposit date: | 2012-04-10 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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7TEU
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![BU of 7teu by Molmil](/molmil-images/mine/7teu) | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Hubbard, S.R. | Deposit date: | 2022-01-05 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation. Cell Chem Biol, 30, 2023
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4ELF
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![BU of 4elf by Molmil](/molmil-images/mine/4elf) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bourne, C.R, Barrow, W.W. | Deposit date: | 2012-04-10 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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4MR9
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![BU of 4mr9 by Molmil](/molmil-images/mine/4mr9) | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist SCH50911 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | Deposit date: | 2013-09-17 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor. Nature, 504, 2013
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4MS4
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![BU of 4ms4 by Molmil](/molmil-images/mine/4ms4) | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the agonist baclofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | Deposit date: | 2013-09-18 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor. Nature, 504, 2013
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3OJ4
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![BU of 3oj4 by Molmil](/molmil-images/mine/3oj4) | |
7WYP
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![BU of 7wyp by Molmil](/molmil-images/mine/7wyp) | Structure of the SARS-COV-2 main protease with EN102 inhibitor | Descriptor: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | Deposit date: | 2022-02-16 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
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5UKO
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![BU of 5uko by Molmil](/molmil-images/mine/5uko) | Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab | Descriptor: | DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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4N4Z
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![BU of 4n4z by Molmil](/molmil-images/mine/4n4z) | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | Deposit date: | 2013-10-08 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Serial crystallography on in vivo grown microcrystals using synchrotron radiation. IUCrJ, 1, 2014
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6C7Q
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![BU of 6c7q by Molmil](/molmil-images/mine/6c7q) | BRD4 BD2 in complex with compound CE277 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/6c7r) | BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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5H07
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![BU of 5h07 by Molmil](/molmil-images/mine/5h07) | TNIP2-Ub complex, C2 form | Descriptor: | Polyubiquitin-C, TNFAIP3-interacting protein 2 | Authors: | Lo, Y.C, Lin, S.C. | Deposit date: | 2016-10-04 | Release date: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Structural Insights into Linear Tri-ubiquitin Recognition by A20-Binding Inhibitor of NF-kappa B, ABIN-2 Structure, 25, 2017
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5UQT
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![BU of 5uqt by Molmil](/molmil-images/mine/5uqt) | |
4MAX
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![BU of 4max by Molmil](/molmil-images/mine/4max) | Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme modification | Descriptor: | HEME B/C, SULFATE ION, cyanoglobin | Authors: | Wenke, B.B, Schlessman, J.L, Heroux, A, Lecomte, J.T.J. | Deposit date: | 2013-08-18 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.444 Å) | Cite: | The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures. Proteins, 82, 2014
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5EF9
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![BU of 5ef9 by Molmil](/molmil-images/mine/5ef9) | Structure of Influenza B Lee PB2 cap-binding domain | Descriptor: | Polymerase basic protein 2 | Authors: | Ma, X, Shia, S. | Deposit date: | 2015-10-23 | Release date: | 2015-11-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit. J.Biol.Chem., 291, 2016
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5EFA
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![BU of 5efa by Molmil](/molmil-images/mine/5efa) | |
6N1L
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![BU of 6n1l by Molmil](/molmil-images/mine/6n1l) | The complement inhibitory domain of B. burgdorferi BBK32. | Descriptor: | Fibronectin-binding protein BBK32 | Authors: | Garcia, B.L. | Deposit date: | 2018-11-09 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.722 Å) | Cite: | Structural determination of the complement inhibitory domain of Borrelia burgdorferi BBK32 provides insight into classical pathway complement evasion by lyme disease spirochetes. PLoS Pathog., 15, 2019
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7KXL
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![BU of 7kxl by Molmil](/molmil-images/mine/7kxl) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXO
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![BU of 7kxo by Molmil](/molmil-images/mine/7kxo) | BTK1 SOAKED WITH COMPOUND 24 | Descriptor: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXN
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![BU of 7kxn by Molmil](/molmil-images/mine/7kxn) | BTK1 SOAKED WITH COMPOUND 26 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXP
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![BU of 7kxp by Molmil](/molmil-images/mine/7kxp) | BTK1 SOAKED WITH COMPOUND 25 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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