6BRY
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![BU of 6bry by Molmil](/molmil-images/mine/6bry) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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3MTN
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![BU of 3mtn by Molmil](/molmil-images/mine/3mtn) | Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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3N3K
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![BU of 3n3k by Molmil](/molmil-images/mine/3n3k) | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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3KGK
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![BU of 3kgk by Molmil](/molmil-images/mine/3kgk) | Crystal structure of ArsD | Descriptor: | Arsenical resistance operon trans-acting repressor arsD | Authors: | Ye, J, Rosen, B.P. | Deposit date: | 2009-10-29 | Release date: | 2010-02-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the ArsD arsenic metallochaperone provides insights into its interaction with the ArsA ATPase. Biochemistry, 49, 2010
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3F7O
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![BU of 3f7o by Molmil](/molmil-images/mine/3f7o) | Crystal structure of Cuticle-Degrading Protease from Paecilomyces lilacinus (PL646) | Descriptor: | (MSU)(ALA)(ALA)(PRO)(VAL), CALCIUM ION, Serine protease | Authors: | Liang, L, Lou, Z, Meng, Z, Rao, Z, Zhang, K. | Deposit date: | 2008-11-10 | Release date: | 2009-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes. Faseb J., 24, 2010
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4XS2
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![BU of 4xs2 by Molmil](/molmil-images/mine/4xs2) | Irak4-inhibitor co-structure | Descriptor: | (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4 | Authors: | Fischmann, T.O. | Deposit date: | 2015-01-21 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. Bioorg.Med.Chem.Lett., 25, 2015
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8DKV
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![BU of 8dkv by Molmil](/molmil-images/mine/8dkv) | PPARg bound to JTP-426467 and Co-R peptide | Descriptor: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ... | Authors: | Larsen, N.A. | Deposit date: | 2022-07-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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8DSY
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![BU of 8dsy by Molmil](/molmil-images/mine/8dsy) | PPARg bound to inverse agonist H3B-343 | Descriptor: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | Authors: | Larsen, N.A. | Deposit date: | 2022-07-24 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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4AW6
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![BU of 4aw6 by Molmil](/molmil-images/mine/4aw6) | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2012-05-31 | Release date: | 2012-07-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies. Science, 339, 2013
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8DKN
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![BU of 8dkn by Molmil](/molmil-images/mine/8dkn) | PPARg bound to T0070907 and Co-R peptide | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | Authors: | Larsen, N.A, Tsai, J. | Deposit date: | 2022-07-05 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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8DSZ
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![BU of 8dsz by Molmil](/molmil-images/mine/8dsz) | PPARg bound to partial agonist H3B-487 | Descriptor: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Larsen, N.A. | Deposit date: | 2022-07-24 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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4YZC
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![BU of 4yzc by Molmil](/molmil-images/mine/4yzc) | Crystal structure of pIRE1alpha in complex with staurosporine | Descriptor: | STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Concha, N.O. | Deposit date: | 2015-03-24 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity. Mol.Pharmacol., 88, 2015
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4YZ9
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![BU of 4yz9 by Molmil](/molmil-images/mine/4yz9) | |
4YZD
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![BU of 4yzd by Molmil](/molmil-images/mine/4yzd) | Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Concha, N.O. | Deposit date: | 2015-03-24 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity. Mol.Pharmacol., 88, 2015
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5HXL
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![BU of 5hxl by Molmil](/molmil-images/mine/5hxl) | |
2GYD
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![BU of 2gyd by Molmil](/molmil-images/mine/2gyd) | Complex of equine apoferritin with the H-diaziflurane photolabeling reagent | Descriptor: | 2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE, CADMIUM ION, ferritin L subunit | Authors: | Loll, P.J, Rossi, M.J, Eckenhoff, R. | Deposit date: | 2006-05-09 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Photoactive analogues of the haloether anesthetics provide high-resolution features from low-affinity interactions. Acs Chem.Biol., 1, 2006
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5HYC
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![BU of 5hyc by Molmil](/molmil-images/mine/5hyc) | Structure based function annotation of a hypothetical protein MGG_01005 related to the development of rice blast fungus | Descriptor: | Cytoplasmic dynein 1 intermediate chain 2, Uncharacterized protein | Authors: | Liu, J, Li, G, Huang, J, Peng, Y.-l. | Deposit date: | 2016-02-01 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure based function-annotation of hypothetical protein MGG_01005 from Magnaporthe oryzae reveals it is the dynein light chain orthologue of dynlt1/3. Sci Rep, 8, 2018
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6JHY
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![BU of 6jhy by Molmil](/molmil-images/mine/6jhy) | |
3F7M
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![BU of 3f7m by Molmil](/molmil-images/mine/3f7m) | Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae | Descriptor: | Alkaline serine protease ver112 | Authors: | Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K. | Deposit date: | 2008-11-09 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes. Faseb J., 24, 2010
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3V6E
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![BU of 3v6e by Molmil](/molmil-images/mine/3v6e) | Crystal Structure of USP2 and a mutant form of Ubiquitin | Descriptor: | CHLORIDE ION, GLYCEROL, Ubiquitin, ... | Authors: | Neculai, M, Ernst, A, Sidhu, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-19 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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5VFC
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![BU of 5vfc by Molmil](/molmil-images/mine/5vfc) | WDR5 bound to inhibitor MM-589 | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2017-04-07 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J. Med. Chem., 60, 2017
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5X2A
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![BU of 5x2a by Molmil](/molmil-images/mine/5x2a) | |
5X26
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![BU of 5x26 by Molmil](/molmil-images/mine/5x26) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2K
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![BU of 5x2k by Molmil](/molmil-images/mine/5x2k) | Crystal structure of EGFR 696-1022 T790M in complex with WZ4003 | Descriptor: | Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Zhu, S.J, Zhao, P, Yun, C.H. | Deposit date: | 2017-02-01 | Release date: | 2018-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5ULA
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![BU of 5ula by Molmil](/molmil-images/mine/5ula) | |