8IMS
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![BU of 8ims by Molmil](/molmil-images/mine/8ims) | Crystal structure of TRAF7 coiled-coil domain | Descriptor: | E3 ubiquitin-protein ligase TRAF7 | Authors: | Hu, R, Lin, L, Lu, Q. | Deposit date: | 2023-03-07 | Release date: | 2024-01-24 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The structure of TRAF7 coiled-coil trimer provides insight into its function in zebrafish embryonic development. J Mol Cell Biol, 16, 2024
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3HL9
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![BU of 3hl9 by Molmil](/molmil-images/mine/3hl9) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | Descriptor: | Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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1D3I
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3HLB
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![BU of 3hlb by Molmil](/molmil-images/mine/3hlb) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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1D3E
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6SQS
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![BU of 6sqs by Molmil](/molmil-images/mine/6sqs) | Crystal structure of cat phospho-Ser429 MDM2 RING domain bound to UbcH5B-Ub | Descriptor: | E3 ubiquitin-protein ligase Mdm2, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 D2, ... | Authors: | Magnussen, H.M, Ahmed, S.F, Huang, D.T. | Deposit date: | 2019-09-04 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for DNA damage-induced phosphoregulation of MDM2 RING domain. Nat Commun, 11, 2020
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4HRT
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![BU of 4hrt by Molmil](/molmil-images/mine/4hrt) | Scapharca tetrameric hemoglobin, unliganded | Descriptor: | Globin-2 A chain, Hemoglobin B chain, PHOSPHATE ION, ... | Authors: | Royer, W.E. | Deposit date: | 2012-10-28 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis. Biochemistry, 52, 2013
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6BWV
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![BU of 6bwv by Molmil](/molmil-images/mine/6bwv) | Crystal Structure of the 4-1BB/4-1BBL Complex | Descriptor: | DI(HYDROXYETHYL)ETHER, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9 | Authors: | Oganesyan, V, Gilbreth, R.N, Baca, M. | Deposit date: | 2017-12-15 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human 4-1BB/4-1BBL complex. J. Biol. Chem., 293, 2018
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1AZI
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![BU of 1azi by Molmil](/molmil-images/mine/1azi) | |
3LBG
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![BU of 3lbg by Molmil](/molmil-images/mine/3lbg) | Urate oxidase complexed with 8-thio xanthine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione, ... | Authors: | Prange, T, Colloc'h, N, Gabison, L. | Deposit date: | 2010-01-08 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand. Acta Crystallogr.,Sect.D, 66, 2010
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3L9G
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![BU of 3l9g by Molmil](/molmil-images/mine/3l9g) | Urate oxidase complexed with uric acid and chloride | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N, Gabison, L. | Deposit date: | 2010-01-05 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand. Acta Crystallogr.,Sect.D, 66, 2010
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7FIX
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6SQR
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![BU of 6sqr by Molmil](/molmil-images/mine/6sqr) | Crystal structure of Cat MDM2-S429E RING domain bound to UbcH5B-Ub | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, NITRATE ION, ... | Authors: | Magnussen, H.M, Ahmed, S.F, Huang, D.T. | Deposit date: | 2019-09-04 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for DNA damage-induced phosphoregulation of MDM2 RING domain. Nat Commun, 11, 2020
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3PXF
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![BU of 3pxf by Molmil](/molmil-images/mine/3pxf) | CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-09 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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1HLB
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2VEG
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3HQ5
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![BU of 3hq5 by Molmil](/molmil-images/mine/3hq5) | Progesterone Receptor bound to an Alkylpyrrolidine ligand. | Descriptor: | 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, GLYCEROL, Progesterone receptor, ... | Authors: | Madauss, K.P, Williams, S.P, Washburn, D.G. | Deposit date: | 2009-06-05 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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5DIV
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![BU of 5div by Molmil](/molmil-images/mine/5div) | The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide | Descriptor: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2015-09-01 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59, 2016
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4I3K
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![BU of 4i3k by Molmil](/molmil-images/mine/4i3k) | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3056 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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1BJE
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2ZQN
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![BU of 2zqn by Molmil](/molmil-images/mine/2zqn) | Crystal structure of the earthworm R-type lectin C-half in complex with Lactose | Descriptor: | 29-kDa galactose-binding lectin, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Suzuki, R, Kuno, A, Hasegawa, T, Hirabayashi, J, Kasai, K, Momma, M, Fujimoto, Z. | Deposit date: | 2008-08-13 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sugar-complex structures of the C-half domain of the galactose-binding lectin EW29 from the earthworm Lumbricus terrestris Acta Crystallogr.,Sect.D, 65, 2009
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8VW5
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![BU of 8vw5 by Molmil](/molmil-images/mine/8vw5) | Crystal structure of Cbl-b TKB bound to compound 2 | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8VW4
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![BU of 8vw4 by Molmil](/molmil-images/mine/8vw4) | Crystal structure of Cbl-b TKB bound to compound 26 | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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7COU
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![BU of 7cou by Molmil](/molmil-images/mine/7cou) | Structure of cyanobacterial photosystem II in the dark S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Li, H, Shen, J.-R, Suga, M. | Deposit date: | 2020-08-05 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography. Iucrj, 8, 2021
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5DIU
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![BU of 5diu by Molmil](/molmil-images/mine/5diu) | The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2015-09-01 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59, 2016
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