5WSB
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![BU of 5wsb by Molmil](/molmil-images/mine/5wsb) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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8GYH
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![BU of 8gyh by Molmil](/molmil-images/mine/8gyh) | Crystal structure of Fic25 (apo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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4UZQ
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5W74
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![BU of 5w74 by Molmil](/molmil-images/mine/5w74) | Crystal Structure of the Group II Chaperonin from Methanococcus Maripaludis D386ADeltaLid Mutant in the Open, ADP-Bound State | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION | Authors: | Dalton, K.M, Lopez, T, Liu, C, Ralston, C.Y, Pereira, J.H, Chartron, J.W, McAndrew, R.P, Douglas, N.R, Adams, P.D, Pande, V.S, Frydman, J. | Deposit date: | 2017-06-19 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | The Conformational Cycle of the Group II Chaperonin Termini To Be Published
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5W8N
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5W9E
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![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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8GYI
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![BU of 8gyi by Molmil](/molmil-images/mine/8gyi) | Crystal structure of Fic25 (holo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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8H68
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![BU of 8h68 by Molmil](/molmil-images/mine/8h68) | Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shi, Y, Ding, J, Yang, H. | Deposit date: | 2022-10-16 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caenorhabditis elegans NMAD-1 functions as a demethylase for actin. J Mol Cell Biol, 15, 2023
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5WAU
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![BU of 5wau by Molmil](/molmil-images/mine/5wau) | Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Fromme, R, Ishigami, I, Yeh, S.Y, Zatsepin, N, Grant, T, Fromme, P, Rousseau, D. | Deposit date: | 2017-06-27 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WMP
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![BU of 5wmp by Molmil](/molmil-images/mine/5wmp) | Crystal Structure of HLA-B7 in complex with TPR, a CMV peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-30 | Release date: | 2018-06-06 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses. J. Immunol., 200, 2018
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5WMV
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![BU of 5wmv by Molmil](/molmil-images/mine/5wmv) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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8GYJ
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![BU of 8gyj by Molmil](/molmil-images/mine/8gyj) | Crystal structure of Fic25 complexed with PLP-(5S,6S)-N2-acetyl-DADH adduct from Streptomyces ficellus | Descriptor: | (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid, DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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5WCJ
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![BU of 5wcj by Molmil](/molmil-images/mine/5wcj) | Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH | Descriptor: | Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates. Nat Commun, 9, 2018
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5WDQ
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![BU of 5wdq by Molmil](/molmil-images/mine/5wdq) | H-Ras mutant L120A bound to GMP-PNP at 100K | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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4V0U
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![BU of 4v0u by Molmil](/molmil-images/mine/4v0u) | The crystal structure of ternary PP1G-PPP1R15B and G-actin complex | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.88 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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5W80
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![BU of 5w80 by Molmil](/molmil-images/mine/5w80) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | Descriptor: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-21 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
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4V0T
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![BU of 4v0t by Molmil](/molmil-images/mine/4v0t) | Monomeric pseudorabies virus protease pUL26N at 2.1 A resolution | Descriptor: | UL26 | Authors: | Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2014-09-18 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease Plos Pathog., 11, 2015
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5W8M
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![BU of 5w8m by Molmil](/molmil-images/mine/5w8m) | Crystal structure of Chaetomium thermophilum Vps29 | Descriptor: | GLYCEROL, TRIETHYLENE GLYCOL, Vacuolar protein sorting-associated protein 29 | Authors: | Collins, B.M, Leneva, N. | Deposit date: | 2017-06-21 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure of the membrane-assembled retromer coat determined by cryo-electron tomography. Nature, 561, 2018
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4V1Y
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![BU of 4v1y by Molmil](/molmil-images/mine/4v1y) | The structure of the hexameric atrazine chlorohydrolase, AtzA | Descriptor: | 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C. | Deposit date: | 2014-10-04 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D, 71, 2015
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5WBD
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![BU of 5wbd by Molmil](/molmil-images/mine/5wbd) | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A | Descriptor: | ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-06-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins. J. Am. Chem. Soc., 139, 2017
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4W4Z
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![BU of 4w4z by Molmil](/molmil-images/mine/4w4z) | Structure of the EphA4 LBD in complex with peptide | Descriptor: | APY-bAla8.am peptide, Ephrin type-A receptor 4, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Mace, P.D, Riedl, S.J. | Deposit date: | 2014-08-15 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor. Acs Chem.Biol., 9, 2014
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5WGV
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![BU of 5wgv by Molmil](/molmil-images/mine/5wgv) | Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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5WI9
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![BU of 5wi9 by Molmil](/molmil-images/mine/5wi9) | Crystal structure of KL with an agonist Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ... | Authors: | Johnstone, S, Min, X, Wang, Z. | Deposit date: | 2017-07-18 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions. J. Biol. Chem., 293, 2018
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