5JCZ
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![BU of 5jcz by Molmil](/molmil-images/mine/5jcz) | Rab11 bound to MyoVa-GTD | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A. | Deposit date: | 2016-04-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.056 Å) | Cite: | Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes. Elife, 5, 2016
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5J6Y
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![BU of 5j6y by Molmil](/molmil-images/mine/5j6y) | Crystal structure of PA14 domain of MpAFP Antifreeze protein | Descriptor: | Antifreeze protein, CALCIUM ION, alpha-D-glucopyranose, ... | Authors: | Guo, S. | Deposit date: | 2016-04-05 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017
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5J7B
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![BU of 5j7b by Molmil](/molmil-images/mine/5j7b) | The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex | Descriptor: | 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | Deposit date: | 2016-04-06 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase. J.Med.Chem., 59, 2016
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5Y08
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5J9B
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![BU of 5j9b by Molmil](/molmil-images/mine/5j9b) | Crystal structure of peroxiredoxin Asp f3 | Descriptor: | peroxiredoxin Asp f3 | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | Deposit date: | 2016-04-08 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus. Sci Rep, 6, 2016
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5OHJ
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![BU of 5ohj by Molmil](/molmil-images/mine/5ohj) | Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor. | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate, ... | Authors: | Rizzi, A, Carzaniga, L, Armani, E. | Deposit date: | 2017-07-17 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases. J. Med. Chem., 60, 2017
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2YIY
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![BU of 2yiy by Molmil](/molmil-images/mine/2yiy) | Crystal structure of compound 8 bound to TAK1-TAB | Descriptor: | (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1 | Authors: | Brown, D.G, Phillips, C. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The Discovery and Synthesis of Selective Dfg-Out Tak-1 Inhibitors To be Published
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5J99
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![BU of 5j99 by Molmil](/molmil-images/mine/5j99) | Ambient temperature transition state structure of arginine kinase - crystal 8/Form I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | Deposit date: | 2016-04-08 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase. Structure, 24, 2016
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4PDC
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4P5Y
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![BU of 4p5y by Molmil](/molmil-images/mine/4p5y) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with N-acetylgalactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, Glycosyl hydrolase, ... | Authors: | Grondin, J.M, Allingham, J.S, Boraston, A.B, Smith, S.P. | Deposit date: | 2014-03-04 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. PLoS ONE, 12, 2017
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3ILU
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![BU of 3ilu by Molmil](/molmil-images/mine/3ilu) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, hydroflumethiazide | Descriptor: | 6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | Deposit date: | 2009-08-07 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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4MV7
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![BU of 4mv7 by Molmil](/molmil-images/mine/4mv7) | Crystal Structure of Biotin Carboxylase form Haemophilus influenzae in Complex with Phosphonoformate | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxylase, PHOSPHONOFORMIC ACID | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | Deposit date: | 2013-09-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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4QRT
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![BU of 4qrt by Molmil](/molmil-images/mine/4qrt) | Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Twist, K.-A, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2014-07-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire. Sci Rep, 4, 2014
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2ZTI
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5WMD
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![BU of 5wmd by Molmil](/molmil-images/mine/5wmd) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5WO4
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![BU of 5wo4 by Molmil](/molmil-images/mine/5wo4) | JAK1 complexed with compound 28 | Descriptor: | 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lesburg, C.A, Patel, S.B. | Deposit date: | 2017-08-01 | Release date: | 2017-12-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties. J. Med. Chem., 60, 2017
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3B6D
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5WHW
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![BU of 5whw by Molmil](/molmil-images/mine/5whw) | Using sound pulses to solve the crystal harvesting bottleneck | Descriptor: | 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... | Authors: | Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L. | Deposit date: | 2017-07-18 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
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5WJH
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![BU of 5wjh by Molmil](/molmil-images/mine/5wjh) | Using sound pulses to solve the crystal harvesting bottleneck | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CALCIUM ION, Proteinase K | Authors: | Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. | Deposit date: | 2017-07-22 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
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5WK4
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![BU of 5wk4 by Molmil](/molmil-images/mine/5wk4) | Crystal structure of an anti-idiotype VLR | Descriptor: | MAGNESIUM ION, Variable lymphocyte receptor 39 | Authors: | Collins, B.C, Nakahara, H, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-07-24 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystal structure of an anti-idiotype variable lymphocyte receptor. Acta Crystallogr F Struct Biol Commun, 73, 2017
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4JXZ
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5J79
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![BU of 5j79 by Molmil](/molmil-images/mine/5j79) | The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex | Descriptor: | 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | Authors: | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | Deposit date: | 2016-04-06 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase. J.Med.Chem., 59, 2016
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3B8A
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![BU of 3b8a by Molmil](/molmil-images/mine/3b8a) | Crystal structure of yeast hexokinase PI in complex with glucose | Descriptor: | Hexokinase-1, SULFATE ION, beta-D-glucopyranose | Authors: | Kuser, P, Cupri, F, Bleicher, L, Polikarpov, I. | Deposit date: | 2007-10-31 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of yeast hexokinase PI in complex with glucose: A classical "induced fit" example revised. Proteins, 72, 2008
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1KAL
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5YY3
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![BU of 5yy3 by Molmil](/molmil-images/mine/5yy3) | |