6YC5
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6JB0
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![BU of 6jb0 by Molmil](/molmil-images/mine/6jb0) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with trehalose | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ABC transporter, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-25 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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5EUJ
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![BU of 5euj by Molmil](/molmil-images/mine/5euj) | PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2015-11-18 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of pyruvate decarboxylase from Zymobacter palmae. Acta Crystallogr.,Sect.F, 72, 2016
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7KF4
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![BU of 7kf4 by Molmil](/molmil-images/mine/7kf4) | Crystal structure from SARS-CoV-2 NendoU NSP15 | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G. | Deposit date: | 2020-10-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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8QNC
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8A3V
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![BU of 8a3v by Molmil](/molmil-images/mine/8a3v) | Crystal structure of the Vibrio cholerae replicative helicase (VcDnaB) in complex with its loader protein (VcDciA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DUF721 domain-containing protein, MAGNESIUM ION, ... | Authors: | Walbott, H, Quevillon-Cheruel, S, Cargemel, C. | Deposit date: | 2022-06-09 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The LH-DH module of bacterial replicative helicases is the common binding site for DciA and other helicase loaders. Acta Crystallogr D Struct Biol, 79, 2023
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6BDO
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8RH6
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![BU of 8rh6 by Molmil](/molmil-images/mine/8rh6) | Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-15 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
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6PJJ
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![BU of 6pjj by Molmil](/molmil-images/mine/6pjj) | Human PRPF4B bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | to be published To Be Published
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8QNB
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![BU of 8qnb by Molmil](/molmil-images/mine/8qnb) | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-galactono-1,4-lactone, L-galactono-1,4-lactone dehydrogenase | Authors: | Boverio, A, Mattevi, A. | Deposit date: | 2023-09-26 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone To Be Published
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6JC7
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![BU of 6jc7 by Molmil](/molmil-images/mine/6jc7) | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, ACETIC ACID, CrmG, ... | Authors: | Xu, J, Su, K, Liu, J. | Deposit date: | 2019-01-28 | Release date: | 2020-02-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition. Commun Biol, 3, 2020
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7ZPB
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![BU of 7zpb by Molmil](/molmil-images/mine/7zpb) | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2022-04-27 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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5F4T
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5U0F
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![BU of 5u0f by Molmil](/molmil-images/mine/5u0f) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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6PG5
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6EVO
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![BU of 6evo by Molmil](/molmil-images/mine/6evo) | Crystal structure the peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complexed with Pro-Pro-Gly-Pro-Arg-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ARG-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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7ZXV
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![BU of 7zxv by Molmil](/molmil-images/mine/7zxv) | Orange Carotenoid Protein Trp-288 BTA mutant | Descriptor: | CHLORIDE ION, Orange carotenoid-binding protein, beta,beta-caroten-4-one, ... | Authors: | Moldenhauer, M, Tseng, H.-W, Kraskov, A, Tavraz, N.N, Hildebrandt, P, Hochberg, G, Essen, L.-O, Budisa, N, Korf, L, Maksimov, E.G, Friedrich, T. | Deposit date: | 2022-05-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Parameterization of a single H-bond in Orange Carotenoid Protein by atomic mutation reveals principles of evolutionary design of complex chemical photosystems. Front Mol Biosci, 10, 2023
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8QL0
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6PGB
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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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6AUX
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![BU of 6aux by Molmil](/molmil-images/mine/6aux) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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6PM7
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6EW7
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6AV7
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![BU of 6av7 by Molmil](/molmil-images/mine/6av7) | Structure of human endothelial nitric oxide synthase heme domain in complex with HW69 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.916 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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5U1V
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