4C5D
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![BU of 4c5d by Molmil](/molmil-images/mine/4c5d) | Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | Descriptor: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization. J.Med.Chem., 57, 2014
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8ET4
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![BU of 8et4 by Molmil](/molmil-images/mine/8et4) | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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6V39
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5TV0
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![BU of 5tv0 by Molmil](/molmil-images/mine/5tv0) | crystal structure and light induced structural changes in orange carotenoid protein bound with 3 'OH echinenone | Descriptor: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one, GLYCEROL, Orange carotenoid-binding protein | Authors: | Yang, X, Bandara, S, Ren, Z. | Deposit date: | 2016-11-07 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Photoactivation mechanism of a carotenoid-based photoreceptor. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6V9S
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![BU of 6v9s by Molmil](/molmil-images/mine/6v9s) | Structure-based development of subtype-selective orexin 1 receptor antagonists | Descriptor: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | Authors: | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | Deposit date: | 2019-12-16 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-based development of a subtype-selective orexin 1 receptor antagonist. Proc.Natl.Acad.Sci.USA, 117, 2020
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8F0Q
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![BU of 8f0q by Molmil](/molmil-images/mine/8f0q) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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5TVN
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![BU of 5tvn by Molmil](/molmil-images/mine/5tvn) | Crystal structure of the LSD-bound 5-HT2B receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | Deposit date: | 2016-11-09 | Release date: | 2017-02-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell, 168, 2017
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6VBX
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![BU of 6vbx by Molmil](/molmil-images/mine/6vbx) | Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | Authors: | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | Deposit date: | 2019-12-19 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. J.Med.Chem., 64, 2021
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8F0P
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![BU of 8f0p by Molmil](/molmil-images/mine/8f0p) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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4BM0
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![BU of 4bm0 by Molmil](/molmil-images/mine/4bm0) | CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE I FROM PLEUROTUS OSTREATUS - CRYSTAL FORM VII | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2013-05-05 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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8F0S
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![BU of 8f0s by Molmil](/molmil-images/mine/8f0s) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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8F0R
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![BU of 8f0r by Molmil](/molmil-images/mine/8f0r) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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6RSS
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![BU of 6rss by Molmil](/molmil-images/mine/6rss) | Solution structure of the fourth WW domain of WWP2 with GB1-tag | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. | Deposit date: | 2019-05-22 | Release date: | 2019-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. Int J Mol Sci, 20, 2019
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4BXH
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![BU of 4bxh by Molmil](/molmil-images/mine/4bxh) | Resolving the activation site of positive regulators in plant phosphoenolpyruvate carboxylase | Descriptor: | 1,2-ETHANEDIOL, C4 PHOSPHOENOLPYRUVATE CARBOXYLASE, SULFATE ION | Authors: | Schlieper, D, Foerster, K, Paulus, J.K, Groth, G. | Deposit date: | 2013-07-11 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Resolving the Activation Site of Positive Regulators in Plant Phosphoenolpyruvate Carboxylase. Mol.Plant, 7, 2014
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4BZY
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![BU of 4bzy by Molmil](/molmil-images/mine/4bzy) | Crystal structure of human glycogen branching enzyme (GBE1) | Descriptor: | 1,4-ALPHA-GLUCAN-BRANCHING ENZYME | Authors: | Froese, D.S, Krojer, T, Goubin, S, Strain-Damerell, C, Mahajan, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | Deposit date: | 2013-07-30 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Glycogen Branching Enzyme Deficiency and Pharmacologic Rescue by Rational Peptide Design. Hum.Mol.Genet., 24, 2015
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8F6P
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![BU of 8f6p by Molmil](/molmil-images/mine/8f6p) | Rat Cardiac Sodium Channel with Ranolazine Bound | Descriptor: | (R)-ranolazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lenaeus, M.J, Tonggu, L. | Deposit date: | 2022-11-16 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis for Inhibition of the Cardiac Sodium Channel by the Atypical Antiarrhythmic Drug Ranolazine To Be Published
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8EKY
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![BU of 8eky by Molmil](/molmil-images/mine/8eky) | Cryo-EM structure of the human PRDX4-ErP46 complex | Descriptor: | Peroxiredoxin-4, Thioredoxin domain-containing protein 5 | Authors: | Su, C.C. | Deposit date: | 2022-09-22 | Release date: | 2023-05-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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5U27
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![BU of 5u27 by Molmil](/molmil-images/mine/5u27) | |
5TXM
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![BU of 5txm by Molmil](/molmil-images/mine/5txm) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP | Descriptor: | 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Das, K, Martinez, S.M, Arnold, E. | Deposit date: | 2016-11-17 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents Chemother., 61, 2017
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8EOJ
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![BU of 8eoj by Molmil](/molmil-images/mine/8eoj) | Microsomal triglyceride transfer protein | Descriptor: | Microsomal triglyceride transfer protein large subunit, Protein disulfide-isomerase | Authors: | Zhang, Z. | Deposit date: | 2022-10-03 | Release date: | 2023-05-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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5TZR
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![BU of 5tzr by Molmil](/molmil-images/mine/5tzr) | GPR40 in complex with partial agonist MK-8666 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | Deposit date: | 2016-11-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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8ET7
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![BU of 8et7 by Molmil](/molmil-images/mine/8et7) | Cryo-EM structure of the organic cation transporter 1 in complex with diphenhydramine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, OCT1 | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | Deposit date: | 2022-10-16 | Release date: | 2023-05-31 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2. Nat.Struct.Mol.Biol., 30, 2023
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6SAM
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![BU of 6sam by Molmil](/molmil-images/mine/6sam) | Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate | 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, Cholinesterase, ... | Authors: | Brazzolotto, X, Kosak, U, Strasek, N, Knez, D, Gobec, S, Nachon, F. | Deposit date: | 2019-07-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | N-alkylpiperidine carbamates as potential anti-Alzheimer's agents. Eur.J.Med.Chem., 197, 2020
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2M8I
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![BU of 2m8i by Molmil](/molmil-images/mine/2m8i) | Structure of Pin1 WW domain | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Luh, L.M, Kirchner, D.K, Loehr, F, Haensel, R, Doetsch, V. | Deposit date: | 2013-05-22 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition. J.Am.Chem.Soc., 135, 2013
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8EOI
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![BU of 8eoi by Molmil](/molmil-images/mine/8eoi) | Structure of a human EMC:human Cav1.2 channel complex in GDN detergent | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | Deposit date: | 2022-10-03 | Release date: | 2023-05-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate. Nature, 619, 2023
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