1CQR
 
 | | CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION | | Descriptor: | CALCIUM ION, STROMELYSIN-1, ZINC ION | | Authors: | Chen, L, Rydel, T.J, Gu, F, Dunaway, C.M, Pikul, S, Dunham, K.M, Barnett, B.L. | | Deposit date: | 1999-08-11 | | Release date: | 2000-03-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes.
J.Mol.Biol., 293, 1999
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7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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1REC
 | | THREE-DIMENSIONAL STRUCTURE OF RECOVERIN, A CALCIUM SENSOR IN VISION | | Descriptor: | CALCIUM ION, RECOVERIN | | Authors: | Flaherty, K.M, Zozulya, S, Stryer, L, Mckay, D.B. | | Deposit date: | 1993-10-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three-Dimensional Structure of Recoverin, a Calcium Sensor in Vision
Cell(Cambridge,Mass.), 75, 1993
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4TOS
 | | Crystal structure of Tankyrase 1 with 355 | | Descriptor: | Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide | | Authors: | Chen, H, Zhang, X, Lum, l, Chen, C. | | Deposit date: | 2014-06-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
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4JWN
 | | Ternary complex of D256A mutant of DNA Polymerase Beta | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Perera, L, Ping, L, Shock, D.D, Beard, W.A, Pedersen, L.C, Pedersen, L.G, Wilson, S.H. | | Deposit date: | 2013-03-27 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Amino Acid Substitution in the Active Site of DNA Polymerase beta Explains the Energy Barrier of the Nucleotidyl Transfer Reaction.
J.Am.Chem.Soc., 135, 2013
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2BDR
 | | Crystal Structure of the Putative Ureidoglycolate hydrolase PP4288 from Pseudomonas putida, Northeast Structural Genomics Target PpR49 | | Descriptor: | SODIUM ION, Ureidoglycolate hydrolase | | Authors: | Forouhar, F, Abashidze, M, Jayaraman, S, Ho, C.K, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-10-20 | | Release date: | 2005-11-15 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Putative Ureidoglycolate hydrolase PP4288 from Pseudomonas putida, Northeast Structural Genomics Target PpR49
To be Published
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2BJI
 | | High Resolution Structure of myo-Inositol Monophosphatase, The Target of Lithium Therapy | | Descriptor: | INOSITOL-1(OR 4)-MONOPHOSPHATASE, MAGNESIUM ION | | Authors: | Gill, R, Mohammed, F, Badyal, R, Coates, L, Erskine, P, Thompson, D, Cooper, J, Gore, M, Wood, S. | | Deposit date: | 2005-02-03 | | Release date: | 2005-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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2C3B
 | | The Crystal Structure of Aspergillus fumigatus Cyclophilin reveals 3D Domain Swapping of a Central Element | | Descriptor: | PPIASE, SULFATE ION | | Authors: | Limacher, A, Kloer, D.P, Fluckiger, S, Folkers, G, Crameri, R, Scapozza, L. | | Deposit date: | 2005-10-05 | | Release date: | 2006-01-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Crystal Structure of Aspergillus Fumigatus Cyclophilin Reveals 3D Domain Swapping of a Central Element
Structure, 14, 2006
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5IJL
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4RK8
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 | | Descriptor: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-10-12 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
TO BE PUBLISHED
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5ISH
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0765 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-03-15 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0765
To Be Published
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4RN5
 | | B1 domain of human Neuropilin-1 with acetate ion in a ligand-binding site | | Descriptor: | ACETATE ION, GLYCEROL, Neuropilin-1, ... | | Authors: | Allerston, C.K, Yelland, T.S, Jarvis, A, Jenkins, K, Winfield, N, Cheng, L, Jia, H, Zachary, I, Selwood, D.L, Djordjevic, S. | | Deposit date: | 2014-10-23 | | Release date: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Conserved water molecules in a ligand-binding site of neuropilin-1
To be Published
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5IOL
 | | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-03-08 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.741 Å) | | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
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7AOS
 | | crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... | | Authors: | le Maire, A, Guee, L, Bourguet, W. | | Deposit date: | 2020-10-15 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
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4RPI
 | | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase | | Authors: | Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A. | | Deposit date: | 2014-10-30 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
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4RPT
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7APO
 | | Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ... | | Authors: | le Maire, A, Guee, L, Bourguet, W. | | Deposit date: | 2020-10-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
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5IRE
 | | The cryo-EM structure of Zika Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | | Authors: | Sirohi, D, Chen, Z, Sun, L, Klose, T, Pierson, T, Rossmann, M, Kuhn, R. | | Deposit date: | 2016-03-13 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The 3.8 angstrom resolution cryo-EM structure of Zika virus.
Science, 352, 2016
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5I0C
 | | Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12 | | Descriptor: | CADMIUM ION, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Filippova, E.V, Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-02-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12
To Be Published
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5ISE
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0649 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-03-15 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution
To Be Published
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2BNK
 | | The structure of phage phi29 replication organizer protein p16.7 | | Descriptor: | EARLY PROTEIN GP16.7 | | Authors: | Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J. | | Deposit date: | 2005-03-28 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
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1COB
 | | CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF THE SEMISYNTHETIC COBALT SUBSTITUTED BOVINE ERYTHROCYTE ENZYME SUPEROXIDE DISMUTASE AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | COBALT (II) ION, COPPER (II) ION, SUPEROXIDE DISMUTASE | | Authors: | Djinovic, K, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Rotilio, G, Bolognesi, M. | | Deposit date: | 1992-02-19 | | Release date: | 1993-10-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution.
J.Mol.Biol., 226, 1992
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4RZG
 | | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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7U4T
 | | Human V-ATPase in state 2 with SidK and mEAK-7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ... | | Authors: | Wang, L, Fu, T.M. | | Deposit date: | 2022-03-01 | | Release date: | 2022-08-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4WIM
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