4U6L
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![BU of 4u6l by Molmil](/molmil-images/mine/4u6l) | Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2 | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), ... | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | Deposit date: | 2014-07-29 | Release date: | 2015-08-19 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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4U7I
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![BU of 4u7i by Molmil](/molmil-images/mine/4u7i) | Structure of the complex of Spartin MIT and IST1 MIM | Descriptor: | IST1 homolog, Spartin | Authors: | Guo, E.Z, Xu, Z. | Deposit date: | 2014-07-30 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains. J.Biol.Chem., 290, 2015
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7OKD
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![BU of 7okd by Molmil](/molmil-images/mine/7okd) | Crystal structure of human BCL6 BTB domain in complex with compound 25 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
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5YVT
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4ULX
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![BU of 4ulx by Molmil](/molmil-images/mine/4ulx) | Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant. | Descriptor: | CHLORIDE ION, LPBCA-L89K THIOREDOXIN | Authors: | Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2014-05-14 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History. Mol.Biol.Evol., 32, 2015
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4UBE
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![BU of 4ube by Molmil](/molmil-images/mine/4ube) | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C. | Deposit date: | 2014-08-12 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE TO BE PUBLISHED
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5ZJ9
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![BU of 5zj9 by Molmil](/molmil-images/mine/5zj9) | human D-amino acid oxidase complexed with 5-chlorothiophene-3-carboxylic acid | Descriptor: | 5-chloro thiophene-3-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids Eur J Med Chem, 159, 2018
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4UMZ
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![BU of 4umz by Molmil](/molmil-images/mine/4umz) | PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Vieira, D.F. | Deposit date: | 2014-05-22 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Recognition of Synthetic Substrates by P450 Pikc To be Published
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7OLY
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![BU of 7oly by Molmil](/molmil-images/mine/7oly) | Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ... | Authors: | Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L. | Deposit date: | 2021-05-20 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.265 Å) | Cite: | Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors. Iscience, 25, 2022
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7PC2
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![BU of 7pc2 by Molmil](/molmil-images/mine/7pc2) | HIV-1 Env (BG505 SOSIP.664) in complex with the IgA bNAb 7-269 and the antibody 3BNC117. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC IgG Fab heavy chain, ... | Authors: | Fernandez, I, Bontems, F, Pehau-Arnaudet, G, Rey, F. | Deposit date: | 2021-08-03 | Release date: | 2022-02-23 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Epitope convergence of broadly HIV-1 neutralizing IgA and IgG antibody lineages in a viremic controller. J.Exp.Med., 219, 2022
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4UII
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![BU of 4uii by Molmil](/molmil-images/mine/4uii) | Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the aquo-met form | Descriptor: | GGDEF DOMAIN PROTEIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Germani, F, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Cuypers, B, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S. | Deposit date: | 2015-03-30 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.827 Å) | Cite: | Azotobacter Vinelandii Globin-Coupled Oxygen Sensor is a Diguanylate Cyclase with a Biphasic Oxygen Dissociation To be Published
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4UNM
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5Z6P
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![BU of 5z6p by Molmil](/molmil-images/mine/5z6p) | The crystal structure of an agarase, AgWH50C | Descriptor: | B-agarase | Authors: | Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y. | Deposit date: | 2018-01-24 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability. Appl. Microbiol. Biotechnol., 103, 2019
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4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | Authors: | Mathieu, M, Marquette, J.P. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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7P6S
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![BU of 7p6s by Molmil](/molmil-images/mine/7p6s) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6T
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![BU of 7p6t by Molmil](/molmil-images/mine/7p6t) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6R
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![BU of 7p6r by Molmil](/molmil-images/mine/7p6r) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7OTB
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![BU of 7otb by Molmil](/molmil-images/mine/7otb) | Ruthenium polypridyl complex bound to a unimolecular chair-form G-quadruplex | Descriptor: | BARIUM ION, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), POTASSIUM ION, ... | Authors: | McQuaid, K.T, Cardin, C.J, Hall, J.P, Paterson, N.G, Baumgaertner, L. | Deposit date: | 2021-06-09 | Release date: | 2022-04-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ruthenium Polypyridyl Complex Bound to a Unimolecular Chair-Form G-Quadruplex. J.Am.Chem.Soc., 144, 2022
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4UOP
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![BU of 4uop by Molmil](/molmil-images/mine/4uop) | Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes | Descriptor: | CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ... | Authors: | Campeotto, I, Freemont, P, Grundling, A. | Deposit date: | 2014-06-06 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system. J. Biol. Chem., 289, 2014
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4SGA
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4TXV
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![BU of 4txv by Molmil](/molmil-images/mine/4txv) | Crystal structure of the mixed disulfide intermediate between thioredoxin-like TlpAs(C110S) and subunit II of cytochrome c oxidase CoxBPD (C233S) | Descriptor: | Cytochrome c oxidase subunit 2, Thiol:disulfide interchange protein TlpA | Authors: | Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R. | Deposit date: | 2014-07-07 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation. J.Biol.Chem., 289, 2014
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4TZK
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![BU of 4tzk by Molmil](/molmil-images/mine/4tzk) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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5ZJA
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![BU of 5zja by Molmil](/molmil-images/mine/5zja) | human D-amino acid oxidase complexed with 5-chlorothiophene-2-carboxylic acid | Descriptor: | 5-chloro thiophene-2-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids Eur J Med Chem, 159, 2018
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7NSF
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7NYF
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![BU of 7nyf by Molmil](/molmil-images/mine/7nyf) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131 | Descriptor: | 14-3-3 protein sigma, 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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