6OKF
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![BU of 6okf by Molmil](/molmil-images/mine/6okf) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6KRA
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6KSP
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6ONM
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![BU of 6onm by Molmil](/molmil-images/mine/6onm) | Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate | Descriptor: | (+)-limonene synthase, (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate, MANGANESE (II) ION | Authors: | Prem Kumar, R, Morehouse, B.R, Yu, Q, Oprian, D.D. | Deposit date: | 2019-04-22 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Direct Evidence of an Enzyme-Generated LPP Intermediate in (+)-Limonene Synthase Using a Fluorinated GPP Substrate Analog. Acs Chem.Biol., 14, 2019
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3IW6
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![BU of 3iw6 by Molmil](/molmil-images/mine/3iw6) | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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4X83
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![BU of 4x83 by Molmil](/molmil-images/mine/4x83) | Crystal structure of Dscam1 isoform 7.44, N-terminal four Ig domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chen, Q, Yu, Y, Li, S.A, Cheng, L. | Deposit date: | 2014-12-10 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition Sci Adv, 2, 2016
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6L3V
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![BU of 6l3v by Molmil](/molmil-images/mine/6l3v) | The R15G mutant of human Cx31.3/GJC3 connexin hemichannel | Descriptor: | Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | Authors: | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | Deposit date: | 2019-10-15 | Release date: | 2020-09-09 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
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6OTU
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5IJ2
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![BU of 5ij2 by Molmil](/molmil-images/mine/5ij2) | SrpA adhesin in complex with sialyllactosamine | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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4DL1
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![BU of 4dl1 by Molmil](/molmil-images/mine/4dl1) | Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Vajdos, F, Varghese, A. | Deposit date: | 2012-02-05 | Release date: | 2012-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)). Biochemistry, 51, 2012
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1BBC
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![BU of 1bbc by Molmil](/molmil-images/mine/1bbc) | STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION | Descriptor: | PHOSPHOLIPASE A2 | Authors: | Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D. | Deposit date: | 1992-05-04 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution. Nature, 352, 1991
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4M0E
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![BU of 4m0e by Molmil](/molmil-images/mine/4m0e) | Structure of human acetylcholinesterase in complex with dihydrotanshinone I | Descriptor: | 1,2-ETHANEDIOL, 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: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | Deposit date: | 2013-08-01 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility. ACS Med Chem Lett, 4, 2013
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7PCJ
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![BU of 7pcj by Molmil](/molmil-images/mine/7pcj) | X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | Descriptor: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ... | Authors: | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | Deposit date: | 2021-08-03 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A To Be Published
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5BV7
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![BU of 5bv7 by Molmil](/molmil-images/mine/5bv7) | Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ... | Authors: | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | Deposit date: | 2015-06-04 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism. J.Biol.Chem., 291, 2016
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7PRJ
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6KSS
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6OSP
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![BU of 6osp by Molmil](/molmil-images/mine/6osp) | Crystal Structure Analysis of PIP4K2A | Descriptor: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-01 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors. Cell Chem Biol, 27, 2020
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6OTT
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![BU of 6ott by Molmil](/molmil-images/mine/6ott) | Structure of PurF in complex with ppApp | Descriptor: | Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ... | Authors: | Grant, R.A, Wang, B, Laub, M.T. | Deposit date: | 2019-05-03 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp. Nature, 575, 2019
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6OQA
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![BU of 6oqa by Molmil](/molmil-images/mine/6oqa) | Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product | Descriptor: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L. | Deposit date: | 2019-04-26 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface. Proc.Natl.Acad.Sci.USA, 117, 2020
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7ZTZ
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![BU of 7ztz by Molmil](/molmil-images/mine/7ztz) | Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-05-11 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv, 9, 2023
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7AUZ
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![BU of 7auz by Molmil](/molmil-images/mine/7auz) | LTA4 hydrolase in complex with compound LYS006 | Descriptor: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2020-11-03 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase. J.Med.Chem., 64, 2021
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7ZTX
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![BU of 7ztx by Molmil](/molmil-images/mine/7ztx) | Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-05-11 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv, 9, 2023
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7AV0
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![BU of 7av0 by Molmil](/molmil-images/mine/7av0) | LTA4 hydrolase in complex with compound R(13) | Descriptor: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2020-11-03 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase. J.Med.Chem., 64, 2021
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7ZU2
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![BU of 7zu2 by Molmil](/molmil-images/mine/7zu2) | Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-05-11 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv, 9, 2023
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7ZU1
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![BU of 7zu1 by Molmil](/molmil-images/mine/7zu1) | Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-05-11 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv, 9, 2023
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