6BKZ
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![BU of 6bkz by Molmil](/molmil-images/mine/6bkz) | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2017-11-09 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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8AR8
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6BSW
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![BU of 6bsw by Molmil](/molmil-images/mine/6bsw) | Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A. | Deposit date: | 2017-12-04 | Release date: | 2018-05-23 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.156 Å) | Cite: | Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F5X
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6F65
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6PT7
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![BU of 6pt7 by Molmil](/molmil-images/mine/6pt7) | Structure of KatE1 catalase from Acinetobacter sp. Ver3 | Descriptor: | CHLORIDE ION, Catalase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gonzalez, J.M, Sartorio, M.G, Cortez, N. | Deposit date: | 2019-07-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and functional properties of the cold-adapted catalase from Acinetobacter sp. Ver3 native to the Atacama plateau in northern Argentina Acta Crystallogr.,Sect.D, D77, 2021
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6PT9
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![BU of 6pt9 by Molmil](/molmil-images/mine/6pt9) | Crystal structure of PsS1_NC C84S in complex with k-neocarrabiose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Hettle, A.G, Boraston, A.B. | Deposit date: | 2019-07-15 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies. Commun Biol, 2, 2019
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6F7A
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![BU of 6f7a by Molmil](/molmil-images/mine/6f7a) | Gloeobacter Ligand-gated Ion Channel (GLIC) closed state crystallized in an ultra-swollen lipidic mesophase | Descriptor: | Proton-gated ion channel | Authors: | Martiel, I, Zabara, A, Chong, J.Y.T, Stark, L, Cromer, B, Dummond, C.J, Mezzenga, R. | Deposit date: | 2017-12-07 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains. Nat Commun, 9, 2018
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5KMF
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![BU of 5kmf by Molmil](/molmil-images/mine/5kmf) | Structure of CavAb in complex with nimodipine | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-26 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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6F2L
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5KZU
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![BU of 5kzu by Molmil](/molmil-images/mine/5kzu) | Crystal structure of an acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole | Descriptor: | 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole, SULFATE ION, Soluble acetylcholine receptor, ... | Authors: | Bobango, J, Wu, J, Talley, I.T, Sankaran, B, Talley, T.T. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole To Be Published
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6FAX
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![BU of 6fax by Molmil](/molmil-images/mine/6fax) | Complex of Human CD40 Ectodomain with Lob 7.4 Fab | Descriptor: | Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5 | Authors: | Orr, C.M, Tews, I, Pearson, A.R. | Deposit date: | 2017-12-18 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies. Cancer Cell, 33, 2018
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6PZ4
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![BU of 6pz4 by Molmil](/molmil-images/mine/6pz4) | co-crystal structure of BACE with inhibitor AM-6494 | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Huang, X. | Deposit date: | 2019-07-31 | Release date: | 2019-10-23 | Last modified: | 2020-03-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2. J.Med.Chem., 63, 2020
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6F3M
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2M5Z
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![BU of 2m5z by Molmil](/molmil-images/mine/2m5z) | Enterocin 7A | Descriptor: | Enterocin JSA | Authors: | Lohans, C.T, Towle, K.M, Miskolzie, M, McKay, R.T, van Belkum, M.J, McMullen, L.M, Vederas, J.C. | Deposit date: | 2013-03-16 | Release date: | 2013-06-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structures of the Linear Leaderless Bacteriocins Enterocin 7A and 7B Resemble Carnocyclin A, a Circular Antimicrobial Peptide Biochemistry, 52, 2013
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2MJJ
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6YQ2
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6FA5
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![BU of 6fa5 by Molmil](/molmil-images/mine/6fa5) | CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Hamann, F, Schmitt, A, Neumann, P, Ficner, R. | Deposit date: | 2017-12-15 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Crystal structure of the spliceosomal DEAH-box ATPase Prp2. Acta Crystallogr D Struct Biol, 74, 2018
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6PSL
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![BU of 6psl by Molmil](/molmil-images/mine/6psl) | Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue | Descriptor: | CHLORIDE ION, teixobactin analogue | Authors: | Nowick, J.S, Yang, H, Pishenko, A, Li, X. | Deposit date: | 2019-07-12 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin. J.Org.Chem., 85, 2020
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6YPY
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5L2D
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6YRQ
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![BU of 6yrq by Molmil](/molmil-images/mine/6yrq) | Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 4.6 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-04-20 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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8W0Q
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![BU of 8w0q by Molmil](/molmil-images/mine/8w0q) | Pembrolizumab CDR-H3 Loop Mimic | Descriptor: | Pembrolizumab CDR-H3 Loop Mimic | Authors: | Feig, M, Roche, S.P. | Deposit date: | 2024-02-14 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | SOLUTION NMR | Cite: | De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 19, 2024
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5KJ7
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![BU of 5kj7 by Molmil](/molmil-images/mine/5kj7) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from XFEL diffraction | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | Deposit date: | 2016-06-17 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife, 5, 2016
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6CUF
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![BU of 6cuf by Molmil](/molmil-images/mine/6cuf) | Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | Deposit date: | 2018-03-26 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV. PLoS Pathog., 14, 2018
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