6CM4
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![BU of 6cm4 by Molmil](/molmil-images/mine/6cm4) | Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ... | Authors: | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | Deposit date: | 2018-03-02 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone. Nature, 555, 2018
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4H76
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![BU of 4h76 by Molmil](/molmil-images/mine/4h76) | Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-20 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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5M03
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![BU of 5m03 by Molmil](/molmil-images/mine/5m03) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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8EL9
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![BU of 8el9 by Molmil](/molmil-images/mine/8el9) | Cryo-EM structure of human catalase | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Su, C.C. | Deposit date: | 2022-09-23 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | Cryo-EM structure of human catalase To Be Published
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6COM
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![BU of 6com by Molmil](/molmil-images/mine/6com) | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | Deposit date: | 2018-03-12 | Release date: | 2018-04-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochim Biophys Acta Gen Subj, 1864, 2020
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8C3N
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![BU of 8c3n by Molmil](/molmil-images/mine/8c3n) | |
4TQO
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![BU of 4tqo by Molmil](/molmil-images/mine/4tqo) | |
6CQ8
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![BU of 6cq8 by Molmil](/molmil-images/mine/6cq8) | K2P2.1(TREK-1):ML335 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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4RVY
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![BU of 4rvy by Molmil](/molmil-images/mine/4rvy) | Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3) | 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: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-11-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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5LZ5
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![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A.J.A, Day, P.J. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5M0Z
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4RLI
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![BU of 4rli by Molmil](/molmil-images/mine/4rli) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | Deposit date: | 2014-10-17 | Release date: | 2015-11-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 TO BE PUBLISHED
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4H6I
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1AKC
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4RLN
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![BU of 4rln by Molmil](/molmil-images/mine/4rln) | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with nXDS | Descriptor: | Lysozyme C | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | Deposit date: | 2014-10-17 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams. Acta Crystallogr.,Sect.D, 71, 2015
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8F5I
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![BU of 8f5i by Molmil](/molmil-images/mine/8f5i) | SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1 | Descriptor: | DH1057.1 HC, DH1057.1 LC, Specialized acyl carrier protein, ... | Authors: | Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L. | Deposit date: | 2022-11-14 | Release date: | 2023-10-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes. Nat Commun, 14, 2023
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4RLS
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![BU of 4rls by Molmil](/molmil-images/mine/4rls) | Lactate Dehydrogenase in complex with inhibitor compound 47 | Descriptor: | (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Eigenbrot, C, Ultsch, M.H. | Deposit date: | 2014-10-17 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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8P00
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![BU of 8p00 by Molmil](/molmil-images/mine/8p00) | Cryo-EM structure of Rotavirus B NSP2 | Descriptor: | Non-structural protein 2 | Authors: | Chamera, S, Nowotny, M. | Deposit date: | 2023-05-09 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of rotavirus B NSP2 reveals its unique tertiary architecture. J.Virol., 98, 2024
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1ALU
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![BU of 1alu by Molmil](/molmil-images/mine/1alu) | HUMAN INTERLEUKIN-6 | Descriptor: | INTERLEUKIN-6, L(+)-TARTARIC ACID, SULFATE ION | Authors: | Somers, W.S, Stahl, M, Seehra, J.S. | Deposit date: | 1997-06-03 | Release date: | 1998-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 A crystal structure of interleukin 6: implications for a novel mode of receptor dimerization and signaling. EMBO J., 16, 1997
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8P1G
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![BU of 8p1g by Molmil](/molmil-images/mine/8p1g) | Crystal structure of inactive TtCE16 in complex with acetate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | Deposit date: | 2023-05-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
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4S0W
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![BU of 4s0w by Molmil](/molmil-images/mine/4s0w) | Wild type T4 lysozyme structure | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Snell, E.H, Snell, M.E. | Deposit date: | 2015-01-07 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Wild type T4 lysozyme structure To be Published
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6CC7
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![BU of 6cc7 by Molmil](/molmil-images/mine/6cc7) | Structure of Fungal GH62 from Thielavia terretris | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside hydrolase family 62 protein, ... | Authors: | Camargo, S, Mulinari, E.J, Almeida, L.R, Muniz, J.R.C. | Deposit date: | 2018-02-06 | Release date: | 2019-02-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of Fungal GH62 from Thielavia terretris To Be Published
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8ENQ
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![BU of 8enq by Molmil](/molmil-images/mine/8enq) | E. coli CsgA fibril (218-pixel box size) | Descriptor: | Major curlin subunit | Authors: | Bu, F, Liu, B. | Deposit date: | 2022-09-30 | Release date: | 2023-10-04 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insight into Escherichia coli CsgA amyloid fibril assembly. Mbio, 15, 2024
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3M0L
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![BU of 3m0l by Molmil](/molmil-images/mine/3m0l) | Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329F in complex with D-psicose | Descriptor: | D-psicose, L-rhamnose isomerase, MANGANESE (II) ION | Authors: | Yoshida, H, Takeda, K, Izumori, K, Kamitori, S. | Deposit date: | 2010-03-03 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase Protein Eng.Des.Sel., 23, 2010
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8P64
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![BU of 8p64 by Molmil](/molmil-images/mine/8p64) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | Deposit date: | 2023-05-25 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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