7LU0
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![BU of 7lu0 by Molmil](/molmil-images/mine/7lu0) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LU1
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![BU of 7lu1 by Molmil](/molmil-images/mine/7lu1) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LU2
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![BU of 7lu2 by Molmil](/molmil-images/mine/7lu2) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LU3
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![BU of 7lu3 by Molmil](/molmil-images/mine/7lu3) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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3RE7
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![BU of 3re7 by Molmil](/molmil-images/mine/3re7) | Copper (II) loaded Bullfrog Ferritin M chain | Descriptor: | COPPER (II) ION, Ferritin, middle subunit | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | Deposit date: | 2011-04-02 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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3RJO
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![BU of 3rjo by Molmil](/molmil-images/mine/3rjo) | |
3RFN
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![BU of 3rfn by Molmil](/molmil-images/mine/3rfn) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_1wnu_001, ZINC ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-06 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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7MBG
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![BU of 7mbg by Molmil](/molmil-images/mine/7mbg) | SARS-CoV-2 Main protease in orthorhombic space group | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Douangamath, A, von Delft, F, Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | Deposit date: | 2021-03-31 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
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3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3R1M
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![BU of 3r1m by Molmil](/molmil-images/mine/3r1m) | Structure of bifunctional fructose 1,6-bisphosphate aldolase/phosphatase (aldolase form) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fushinobu, S, Nishimasu, H, Hattori, D, Song, H.-J, Wakagi, T. | Deposit date: | 2011-03-10 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the bifunctionality of fructose-1,6-bisphosphate aldolase/phosphatase. Nature, 478, 2011
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3SJI
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![BU of 3sji by Molmil](/molmil-images/mine/3sji) | crystal structure of CVA16 3C in complex with Rupintrivir (AG7088) | Descriptor: | 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | Deposit date: | 2011-06-21 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design. J.Virol., 85, 2011
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3SMQ
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![BU of 3smq by Molmil](/molmil-images/mine/3smq) | Crystal structure of protein arginine methyltransferase 3 | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | Authors: | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An allosteric inhibitor of protein arginine methyltransferase 3. Structure, 20, 2012
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7K40
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![BU of 7k40 by Molmil](/molmil-images/mine/7k40) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7LCC
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![BU of 7lcc by Molmil](/molmil-images/mine/7lcc) | Helitron transposase bound to LTS | Descriptor: | Helraiser K1068Q, LTS, ZINC ION | Authors: | Kosek, D, Dyda, F. | Deposit date: | 2021-01-10 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | The large bat Helitron DNA transposase forms a compact monomeric assembly that buries and protects its covalently bound 5'-transposon end. Mol.Cell, 81, 2021
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3SJ7
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![BU of 3sj7 by Molmil](/molmil-images/mine/3sj7) | |
7LON
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![BU of 7lon by Molmil](/molmil-images/mine/7lon) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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7LOM
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![BU of 7lom by Molmil](/molmil-images/mine/7lom) | Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, Ornithine aminotransferase, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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3SEV
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![BU of 3sev by Molmil](/molmil-images/mine/3sev) | Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization | Descriptor: | CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3TBV
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![BU of 3tbv by Molmil](/molmil-images/mine/3tbv) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G,V3P,Y4A) | Descriptor: | Beta-2-microglobulin, GLYCEROL, Glycoprotein G1, ... | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | Deposit date: | 2011-08-08 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3TGJ
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![BU of 3tgj by Molmil](/molmil-images/mine/3tgj) | S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | Authors: | Pasternak, A, Ringe, D, Hedstrom, L. | Deposit date: | 1998-07-16 | Release date: | 1998-12-23 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure Protein Sci., 8, 1999
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7LIV
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![BU of 7liv by Molmil](/molmil-images/mine/7liv) | Structure of human transfer RNA visualized in the cytomegalovirus, a DNA virus | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ... | Authors: | Liu, Y.T, Strugatsky, D, Liu, W, Zhou, Z.H. | Deposit date: | 2021-01-28 | Release date: | 2021-09-15 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human cytomegalovirus virion reveals host tRNA binding to capsid-associated tegument protein pp150. Nat Commun, 12, 2021
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3T64
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![BU of 3t64 by Molmil](/molmil-images/mine/3t64) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3TH3
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![BU of 3th3 by Molmil](/molmil-images/mine/3th3) | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | Descriptor: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | Authors: | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | Deposit date: | 2011-08-18 | Release date: | 2012-08-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ To be Published
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7MHK
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![BU of 7mhk by Molmil](/molmil-images/mine/7mhk) | Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHN
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![BU of 7mhn by Molmil](/molmil-images/mine/7mhn) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1908 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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