8WSP
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![BU of 8wsp by Molmil](/molmil-images/mine/8wsp) | Crystal structure of SFTSV Gn and antibody SF5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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5ELV
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![BU of 5elv by Molmil](/molmil-images/mine/5elv) | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution | Descriptor: | 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-11-05 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2. Biophys.J., 110, 2016
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8VJ7
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![BU of 8vj7 by Molmil](/molmil-images/mine/8vj7) | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | Deposit date: | 2024-01-05 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.85 Å) | Cite: | Allosteric competition and inhibition in AMPA receptors. Nat.Struct.Mol.Biol., 2024
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7JPZ
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![BU of 7jpz by Molmil](/molmil-images/mine/7jpz) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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2VBI
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![BU of 2vbi by Molmil](/molmil-images/mine/2vbi) | |
4FYX
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![BU of 4fyx by Molmil](/molmil-images/mine/4fyx) | E. coli Aspartate Transcarbamoylase complexed with dCTP, UTP, and Mg2+ | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ... | Authors: | Cockrell, G.M, Kantrowitz, E.R. | Deposit date: | 2012-07-05 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0889 Å) | Cite: | Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 51, 2012
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2V3A
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![BU of 2v3a by Molmil](/molmil-images/mine/2v3a) | Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D. | Deposit date: | 2007-06-14 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa. Proc.Natl.Acad.Sci.USA, 104, 2007
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5EM2
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![BU of 5em2 by Molmil](/molmil-images/mine/5em2) | Crystal structure of the Erb1-Ytm1 complex | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Ribosome biogenesis protein ERB1, ... | Authors: | Ahmed, Y.L, Sinning, I. | Deposit date: | 2015-11-05 | Release date: | 2015-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Concerted removal of the Erb1-Ytm1 complex in ribosome biogenesis relies on an elaborate interface. Nucleic Acids Res., 44, 2016
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5ALL
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![BU of 5all by Molmil](/molmil-images/mine/5all) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, SULFATE ION, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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7JQ5
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![BU of 7jq5 by Molmil](/molmil-images/mine/7jq5) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8 | Descriptor: | 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7R5L
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![BU of 7r5l by Molmil](/molmil-images/mine/7r5l) | Crystal structure of YTHDF2 with compound YLI_DC1_015 | Descriptor: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2 | Authors: | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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4MGT
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![BU of 4mgt by Molmil](/molmil-images/mine/4mgt) | ALKBH2 R110A cross-linked to undamaged dsDNA | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA1, DNA2, ... | Authors: | Chen, B, Gan, J, Yang, C.G. | Deposit date: | 2013-08-28 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The complex structures of ALKBH2 mutants cross-linked to
dsDNA reveal the conformational swing of β-hairpin Sci China Chem, 57, 2014
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2V4Q
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![BU of 2v4q by Molmil](/molmil-images/mine/2v4q) | Post-insertion complex of the Y-family DNA polymerase Dpo4 with M1dG containing template DNA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*C M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Stafford, J.B, Szekely, J, Rizzo, C.J, Egli, M, Guengerich, F.P, Marnett, L.J. | Deposit date: | 2008-09-26 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct. Biochemistry, 48, 2009
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4LPF
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![BU of 4lpf by Molmil](/molmil-images/mine/4lpf) | Crystal structure of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | Authors: | Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. | Deposit date: | 2013-07-16 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the native, substrate-
bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase Acta Crystallogr.,Sect.D, 2013
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7R1A
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![BU of 7r1a by Molmil](/molmil-images/mine/7r1a) | Furin Cleaved Alpha Variant SARS-CoV-2 Spike in complex with 3 ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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2V67
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![BU of 2v67 by Molmil](/molmil-images/mine/2v67) | Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit supressor mutation T342I | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I. | Deposit date: | 2007-07-13 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2 O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase Biochemistry, 46, 2007
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2BKG
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![BU of 2bkg by Molmil](/molmil-images/mine/2bkg) | Crystal structure of E3_19 a designed ankyrin repeat protein | Descriptor: | SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19 | Authors: | Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G. | Deposit date: | 2005-02-16 | Release date: | 2006-06-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability Proteins: Struct., Funct., Bioinf., 65, 2006
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7JU0
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![BU of 7ju0 by Molmil](/molmil-images/mine/7ju0) | |
2V2P
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![BU of 2v2p by Molmil](/molmil-images/mine/2v2p) | Mutant (E53,56,57,60Q and R59M) recombinant horse spleen apoferritin cocrystallized with haemin in acidic conditions | Descriptor: | CADMIUM ION, FERRITIN LIGHT CHAIN, GLYCEROL, ... | Authors: | De Val, N, Declercq, J.P. | Deposit date: | 2007-06-06 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Analysis of Haemin Demetallation by L-Chain Apoferritins J.Inorg.Biochem., 112, 2012
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3C5Y
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![BU of 3c5y by Molmil](/molmil-images/mine/3c5y) | |
5EGR
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![BU of 5egr by Molmil](/molmil-images/mine/5egr) | tRNA guanine transglycosylase (TGT) in complex with an Immucillin derivative | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2015-10-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis of an Immucillin Derivative as a Class of tRNA-Guanine Transglycosylase Inhibitors: Exploration of a Transition State Analogous Binding Mode To be Published
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3BX7
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![BU of 3bx7 by Molmil](/molmil-images/mine/3bx7) | |
4LRJ
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![BU of 4lrj by Molmil](/molmil-images/mine/4lrj) | |
7R2V
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![BU of 7r2v by Molmil](/molmil-images/mine/7r2v) | Structure of nsp14 from SARS-CoV-2 in complex with SAH | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ... | Authors: | Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K. | Deposit date: | 2022-02-06 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity. Structure, 30, 2022
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3COG
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![BU of 3cog by Molmil](/molmil-images/mine/3cog) | Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-28 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S. J.Biol.Chem., 284, 2009
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