5FSC
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![BU of 5fsc by Molmil](/molmil-images/mine/5fsc) | Structure of tectonin 2 from Laccaria bicolor in complex with allyl- alpha_4-methyl-mannoside | Descriptor: | MAGNESIUM ION, TECTONIN 2, prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside | Authors: | Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A. | Deposit date: | 2016-01-04 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense. Structure, 26, 2018
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3MPW
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![BU of 3mpw by Molmil](/molmil-images/mine/3mpw) | Structure of EUTM in 2-D protein membrane | Descriptor: | Ethanolamine utilization protein eutM, PHOSPHATE ION | Authors: | Sagermann, M, Takenoya, M, Nikolakakis, K. | Deposit date: | 2010-04-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli. J.Bacteriol., 192, 2010
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6W7H
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![BU of 6w7h by Molmil](/molmil-images/mine/6w7h) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | Deposit date: | 2020-03-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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7ZJ2
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6CIJ
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![BU of 6cij by Molmil](/molmil-images/mine/6cij) | Cryo-EM structure of mouse RAG1/2 HFC complex containing partial HMGB1 linker(3.9 A) | Descriptor: | CALCIUM ION, DNA (30-MER), DNA (41-MER), ... | Authors: | Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W. | Deposit date: | 2018-02-24 | Release date: | 2018-04-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination. Mol. Cell, 70, 2018
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2ODI
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![BU of 2odi by Molmil](/molmil-images/mine/2odi) | Restriction Endonuclease BCNI-Cognate DNA Substrate Complex | Descriptor: | 5'-D(*AP*AP*CP*CP*CP*GP*GP*AP*GP*AP*C)-3', 5'-D(*CP*TP*CP*CP*GP*GP*GP*TP*TP*GP*T)-3', CALCIUM ION, ... | Authors: | Sokolowska, M, Kaus-Drobek, M, Czapinska, H, Tamulaitis, G, Szczepanowski, R.H, Urbanke, C, Siksnys, V, Bochtler, M. | Deposit date: | 2006-12-22 | Release date: | 2007-03-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Monomeric restriction endonuclease BcnI in the apo form and in an asymmetric complex with target DNA. J.Mol.Biol., 369, 2007
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2OA9
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![BU of 2oa9 by Molmil](/molmil-images/mine/2oa9) | Restriction endonuclease MvaI in the absence of DNA | Descriptor: | ACETATE ION, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kaus-Drobek, M, Czapinska, H, Sokolowska, M, Tamulaitis, G, Szczepanowski, R.H, Urbanke, K, Siksnys, V, Bochtler, M. | Deposit date: | 2006-12-15 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restriction endonuclease MvaI is a monomer that recognizes its target sequence asymmetrically. Nucleic Acids Res., 35, 2007
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5AY9
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5FOG
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![BU of 5fog by Molmil](/molmil-images/mine/5fog) | Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA) | Descriptor: | 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ... | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-20 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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6Q3X
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![BU of 6q3x by Molmil](/molmil-images/mine/6q3x) | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6W52
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![BU of 6w52 by Molmil](/molmil-images/mine/6w52) | Prefusion RSV F bound by neutralizing antibody RSB1 | Descriptor: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | Deposit date: | 2020-03-12 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F. Plos Pathog., 16, 2020
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5O8A
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![BU of 5o8a by Molmil](/molmil-images/mine/5o8a) | Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nat Chem, 10, 2018
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5UC4
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![BU of 5uc4 by Molmil](/molmil-images/mine/5uc4) | Hsp90b N-terminal domain with inhibitors | Descriptor: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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8CZZ
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![BU of 8czz by Molmil](/molmil-images/mine/8czz) | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 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, Y, Pozharski, E, Tolbert, W, Pazgier, M. | Deposit date: | 2022-05-25 | Release date: | 2023-05-31 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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6W8K
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![BU of 6w8k by Molmil](/molmil-images/mine/6w8k) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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4K1O
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3N8G
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![BU of 3n8g by Molmil](/molmil-images/mine/3n8g) | Structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Olesen, C, Poulsen, H, Morth, J.P, Moller, J.V, Nissen, P. | Deposit date: | 2010-05-28 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Ion pathways in the sarcoplasmic reticulum Ca2+-ATPase. J.Biol.Chem., 288, 2013
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7L91
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![BU of 7l91 by Molmil](/molmil-images/mine/7l91) | Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-01 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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6T7X
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![BU of 6t7x by Molmil](/molmil-images/mine/6t7x) | Crystal structure of PCNA from P. abyssi | Descriptor: | DNA polymerase sliding clamp | Authors: | Madru, C, Raia, P, Hugonneau Beaufet, I, Delarue, M, Carroni, M, Sauguet, L. | Deposit date: | 2019-10-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA. Nat Commun, 11, 2020
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5NW2
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![BU of 5nw2 by Molmil](/molmil-images/mine/5nw2) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19) | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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7FSA
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![BU of 7fsa by Molmil](/molmil-images/mine/7fsa) | Structure of liver pyruvate kinase in complex with allosteric modulator 24 | Descriptor: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS1
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![BU of 7fs1 by Molmil](/molmil-images/mine/7fs1) | Structure of liver pyruvate kinase in complex with allosteric modulator 11 | Descriptor: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.863 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS3
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![BU of 7fs3 by Molmil](/molmil-images/mine/7fs3) | Structure of liver pyruvate kinase in complex with allosteric modulator 15 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRY
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![BU of 7fry by Molmil](/molmil-images/mine/7fry) | Structure of liver pyruvate kinase in complex with allosteric modulator 6 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.958 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FRV
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![BU of 7frv by Molmil](/molmil-images/mine/7frv) | Structure of liver pyruvate kinase in complex with allosteric modulator 3 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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