4WWO
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![BU of 4wwo by Molmil](/molmil-images/mine/4wwo) | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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8POB
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![BU of 8pob by Molmil](/molmil-images/mine/8pob) | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3 | Descriptor: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | Authors: | Alsalman, Z, Girard, E. | Deposit date: | 2023-07-04 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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6CW6
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![BU of 6cw6 by Molmil](/molmil-images/mine/6cw6) | Structure of alpha-GC[8,18] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-29 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CXE
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![BU of 6cxe by Molmil](/molmil-images/mine/6cxe) | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6YRO
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![BU of 6yro by Molmil](/molmil-images/mine/6yro) | Streptococcus suis SadP mutant - N285D | Descriptor: | GLYCEROL, SODIUM ION, SadP | Authors: | Papageorgiou, A.C, Haataja, S. | Deposit date: | 2020-04-20 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease. J.Biol.Chem., 295, 2020
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6CXA
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![BU of 6cxa by Molmil](/molmil-images/mine/6cxa) | |
6CWB
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![BU of 6cwb by Molmil](/molmil-images/mine/6cwb) | Structure of alpha-GSA[8,4P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-30 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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5L2I
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![BU of 5l2i by Molmil](/molmil-images/mine/5l2i) | The X-ray co-crystal structure of human CDK6 and Palbociclib. | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-01 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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6CX9
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![BU of 6cx9 by Molmil](/molmil-images/mine/6cx9) | Structure of alpha-GSA[16,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CX5
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![BU of 6cx5 by Molmil](/molmil-images/mine/6cx5) | Structure of alpha-GSA[8,8P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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5L2S
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![BU of 5l2s by Molmil](/molmil-images/mine/5l2s) | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | Descriptor: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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6ZCI
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![BU of 6zci by Molmil](/molmil-images/mine/6zci) | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | Descriptor: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | Authors: | Faller, M. | Deposit date: | 2020-06-11 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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5L2W
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![BU of 5l2w by Molmil](/molmil-images/mine/5l2w) | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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5L2T
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![BU of 5l2t by Molmil](/molmil-images/mine/5l2t) | The X-ray co-crystal structure of human CDK6 and Ribociclib. | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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6CW9
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![BU of 6cw9 by Molmil](/molmil-images/mine/6cw9) | Structure of alpha-GC[8,16P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-30 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CX7
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![BU of 6cx7 by Molmil](/molmil-images/mine/6cx7) | Structure of alpha-GSA[12,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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8Q6C
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![BU of 8q6c by Molmil](/molmil-images/mine/8q6c) | The RSL-D32N - sulfonato-calix[8]arene complex, P63 form, acetate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
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8Q6A
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![BU of 8q6a by Molmil](/molmil-images/mine/8q6a) | The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
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8Q6B
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![BU of 8q6b by Molmil](/molmil-images/mine/8q6b) | The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
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6A97
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![BU of 6a97 by Molmil](/molmil-images/mine/6a97) | Crystal structure of MHC-like MILL2 | Descriptor: | Beta-2-microglobulin, MHC I-like leukocyte 2 long form, SULFATE ION | Authors: | Kajikawa, M, Ose, T, Maenaka, K. | Deposit date: | 2018-07-11 | Release date: | 2018-12-05 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Structure of MHC class I-like MILL2 reveals heparan-sulfate binding and interdomain flexibility. Nat Commun, 9, 2018
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7MFR
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![BU of 7mfr by Molmil](/molmil-images/mine/7mfr) | Crystal Structure of a Fab fragment bound to peptide GGM | Descriptor: | Antibody fragment - Heavy Chain of fab, Antibody fragment - Light Chain of fab, GLY-GLY-MET, ... | Authors: | Sudhamsu, J. | Deposit date: | 2021-04-10 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.848 Å) | Cite: | Antibody toolkit reveals N-terminally ubiquitinated substrates of UBE2W. Nat Commun, 12, 2021
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6AH5
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![BU of 6ah5 by Molmil](/molmil-images/mine/6ah5) | Structure of human P2X3 receptor in complex with ATP and Mg2+ ion | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hattori, M. | Deposit date: | 2018-08-16 | Release date: | 2019-06-12 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (3.819 Å) | Cite: | Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP. Elife, 8, 2019
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8B4I
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![BU of 8b4i by Molmil](/molmil-images/mine/8b4i) | Cryo-EM structure of the Neurospora crassa TOM core complex at 3.3 angstrom | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, DIUNDECYL PHOSPHATIDYL CHOLINE, Mitochondrial import receptor subunit Tom22, ... | Authors: | Ornelas, P, Kuehlbrandt, W. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Two conformations of the Tom20 preprotein receptor in the TOM holo complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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6AH4
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![BU of 6ah4 by Molmil](/molmil-images/mine/6ah4) | Structure of human P2X3 receptor in complex with ATP and Ca2+ ion | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hattori, M. | Deposit date: | 2018-08-16 | Release date: | 2019-06-12 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (3.296 Å) | Cite: | Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP. Elife, 8, 2019
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6BII
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![BU of 6bii by Molmil](/molmil-images/mine/6bii) | Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW) | Descriptor: | GLYCEROL, Glyoxylate reductase, MALONATE ION, ... | Authors: | Lassalle, L, Shabalin, I.G, Girard, E, Minor, W. | Deposit date: | 2017-11-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New insights into the mechanism of substrates trafficking in Glyoxylate/Hydroxypyruvate reductases. Sci Rep, 6, 2016
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