6QIO
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7PZN
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7PA0
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![BU of 7pa0 by Molmil](/molmil-images/mine/7pa0) | NaK C-DI F92A mutant with Rb+ and K+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
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7R1U
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![BU of 7r1u by Molmil](/molmil-images/mine/7r1u) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | Deposit date: | 2022-02-03 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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3SCV
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![BU of 3scv by Molmil](/molmil-images/mine/3scv) | Crystal Structure of Rice BGlu1 E386G/S334A Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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2PGH
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![BU of 2pgh by Molmil](/molmil-images/mine/2pgh) | STRUCTURE DETERMINATION OF AQUOMET PORCINE HEMOGLOBIN AT 2.8 ANGSTROM RESOLUTION | Descriptor: | HEMOGLOBIN (AQUO MET) (ALPHA CHAIN), HEMOGLOBIN (AQUO MET) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Katz, D.S, White, S.P, Huang, W, Kumar, R, Christianson, D.W. | Deposit date: | 1994-09-16 | Release date: | 1994-11-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure determination of aquomet porcine hemoglobin at 2.8 A resolution. J.Mol.Biol., 244, 1994
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1NHQ
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![BU of 1nhq by Molmil](/molmil-images/mine/1nhq) | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | Deposit date: | 1994-12-09 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303. Biochemistry, 34, 1995
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7QZX
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![BU of 7qzx by Molmil](/molmil-images/mine/7qzx) | Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-02-01 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
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7R1X
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![BU of 7r1x by Molmil](/molmil-images/mine/7r1x) | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
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4KI2
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6CNN
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1GT7
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![BU of 1gt7 by Molmil](/molmil-images/mine/1gt7) | L-rhamnulose-1-phosphate aldolase from Escherichia coli | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION | Authors: | Kroemer, M, Schulz, G.E. | Deposit date: | 2002-01-14 | Release date: | 2002-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of L-Rhamnulose-1-Phosphate Aldolase (Class II) Solved by Low-Resolution Sir Phasing and 20-Fold Ncs Averaging Acta Crystallogr.,Sect.D, 58, 2002
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3O8G
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![BU of 3o8g by Molmil](/molmil-images/mine/3o8g) | EthR from Mycobacterium tuberculosis in complex with compound BDM14801 | Descriptor: | 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator. Acs Chem.Biol., 5, 2010
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6BRG
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![BU of 6brg by Molmil](/molmil-images/mine/6brg) | The SAM domain of mouse SAMHD1 is critical for its activation and regulation | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | Authors: | Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y. | Deposit date: | 2017-11-30 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The SAM domain of mouse SAMHD1 is critical for its activation and regulation. Nat Commun, 9, 2018
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7M7I
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![BU of 7m7i by Molmil](/molmil-images/mine/7m7i) | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2 (TE-free) | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7J
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![BU of 7m7j by Molmil](/molmil-images/mine/7m7j) | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: "turnstile closed" state (TE-free) | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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5HV8
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![BU of 5hv8 by Molmil](/molmil-images/mine/5hv8) | Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2 of the mycolactone polyketide synthase. | Descriptor: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate, Type I modular polyketide synthase | Authors: | Vance, S, Tkachenko, O, Thomas, B, Bassuni, M, Hong, H, Nietlispach, D, Broadhurst, R.W. | Deposit date: | 2016-01-28 | Release date: | 2016-03-09 | Last modified: | 2019-10-23 | Method: | SOLUTION NMR | Cite: | Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase. Biochem.J., 473, 2016
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6DHZ
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4MO7
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![BU of 4mo7 by Molmil](/molmil-images/mine/4mo7) | Crystal structure of superantigen PfiT | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2 | Authors: | Liu, L.H, Chen, H, Li, H.M. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Pfit is a structurally novel Crohn's disease-associated superantigen. Plos Pathog., 9, 2013
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5VSW
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5V7I
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![BU of 5v7i by Molmil](/molmil-images/mine/5v7i) | Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ducker, G.S, Ghergurovich, J.M, Mainolfi, N, Suri, V, Jeong, S, Friedman, A, Manfredi, M, Kim, H, Rabinowitz, J.D. | Deposit date: | 2017-03-20 | Release date: | 2017-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3N75
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![BU of 3n75 by Molmil](/molmil-images/mine/3n75) | X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI | Descriptor: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ... | Authors: | Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A. | Deposit date: | 2010-05-26 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. Embo J., 30, 2011
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6DMC
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![BU of 6dmc by Molmil](/molmil-images/mine/6dmc) | ppGpp Riboswitch bound to ppGpp, native structure | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Peselis, A, Serganov, A. | Deposit date: | 2018-06-04 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat. Chem. Biol., 14, 2018
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6D7R
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![BU of 6d7r by Molmil](/molmil-images/mine/6d7r) | Crystal structure of an inactivate variant of the quorum-sensing master regulator HapR from protease-deficient non-O1, non-O139 Vibrio cholerae strain V2 | Descriptor: | Hemagglutinin/protease regulatory protein | Authors: | Cruite, J.T, Succo, P, Raychaudhuri, S, Kull, F.J. | Deposit date: | 2018-04-25 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an inactive variant of the quorum-sensing master regulator HapR from the protease-deficient non-O1, non-O139 Vibrio cholerae strain V2. Acta Crystallogr F Struct Biol Commun, 74, 2018
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3H1R
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![BU of 3h1r by Molmil](/molmil-images/mine/3h1r) | Order-disorder structure of fluorescent protein FP480 | Descriptor: | Fluorescent protein FP480 | Authors: | Pletnev, S, Morozova, K.S, Verkhusha, V.V, Dauter, Z. | Deposit date: | 2009-04-13 | Release date: | 2009-09-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Rotational order-disorder structure of fluorescent protein FP480 Acta Crystallogr.,Sect.D, 65, 2009
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