4NYG
 
 | | Crystal structure of the E. coli thiM riboswitch in complex with thiamine | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, thiM TPP riboswitch | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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1GHB
 | | A SECOND ACTIVE SITE IN CHYMOTRYPSIN? THE X-RAY CRYSTAL STRUCTURE OF N-ACETYL-D-TRYPTOPHAN BOUND TO GAMMA-CHYMOTRYPSIN | | Descriptor: | ACETYL GROUP, GAMMA-CHYMOTRYPSIN, HEXANE, ... | | Authors: | Yennawar, H.P, Yennawar, N.H, Farber, G.K. | | Deposit date: | 1994-04-06 | | Release date: | 1994-06-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A STRUCTURAL EXPLANATION FOR ENZYME MEMORY IN NONAQUEOUS SOLVENTS.
J.Am.Chem.Soc., 117, 1995
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4UYN
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | | Deposit date: | 2014-09-02 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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6TRF
 | | Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) purified from cells treated with kifunensine. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | | Authors: | Roversi, P, Zitzmann, N. | | Deposit date: | 2019-12-18 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.106 Å) | | Cite: | Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
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4W1P
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.54 MGy TEMP 150K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-14 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4W1Q
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.39 MGy TEMP 150K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-14 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4W1S
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 11.09 MGy TEMP 150K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | jackson, C.j, carr, p.d, weik, m, huber, t, meirelles, t, correy, g. | | Deposit date: | 2014-08-14 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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2Q5Z
 | | Crystal structure of iMazG from Vibrio DAT 722: Ntag-iMazG (P43212) | | Descriptor: | GLYCEROL, Hypothetical protein, MAGNESIUM ION | | Authors: | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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5HYU
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6TSV
 | | Tail of empty GTA particle computed with helical refinement, C6 symmetry | | Descriptor: | Tail tube protein Rcc01691 | | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | Deposit date: | 2019-12-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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6TSW
 | | Isometric capsid of empty GTA particle computed with I4(I,n25r) symmetry | | Descriptor: | Major capsid protein Rcc01687 | | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | Deposit date: | 2019-12-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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5HVH
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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5HSA
 | | Alcohol Oxidase AOX1 from Pichia Pastoris | | Descriptor: | ARABINO-FLAVIN-ADENINE DINUCLEOTIDE, Alcohol oxidase 1, CALCIUM ION, ... | | Authors: | Neumann, P, Ficner, R, Feussner, I, Koch, C. | | Deposit date: | 2016-01-25 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of Alcohol Oxidase from Pichia pastoris.
Plos One, 11, 2016
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4NPP
 | | The GLIC-His10 wild-type structure in equilibrium between the open and locally-closed (LC) forms | | Descriptor: | NICKEL (II) ION, Proton-gated ion channel | | Authors: | Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M. | | Deposit date: | 2013-11-22 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5HVG
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-a204) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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3G1E
 | | X-ray crystal structure of coil 1A of human vimentin | | Descriptor: | Vimentin | | Authors: | Meier, M, Padilla, G.P, Herrmann, H, Wedig, T, Hergt, M, Patel, T.R, Stetefeld, J, Aebi, U, Burkhard, P. | | Deposit date: | 2009-01-29 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Vimentin coil 1A-A molecular switch involved in the initiation of filament elongation.
J.Mol.Biol., 390, 2009
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4NR4
 | | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ... | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
TO BE PUBLISHED
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2Q73
 | | Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P41212) | | Descriptor: | Hypothetical protein, MAGNESIUM ION | | Authors: | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | Deposit date: | 2007-06-05 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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5I2I
 | | Structure of cetuximab Fab with cyclic F3Q variant of the meditope | | Descriptor: | Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-02-08 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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2Q8Z
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-AMINOURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | | Deposit date: | 2007-06-12 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
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3GH8
 | | Crystal structure of Mus musculus iodotyrosine deiodinase (IYD) bound to FMN and di-iodotyrosine (DIT) | | Descriptor: | 3,5-DIIODOTYROSINE, FLAVIN MONONUCLEOTIDE, Iodotyrosine dehalogenase 1, ... | | Authors: | Thomas, S.R, McTamney, P.M, Adler, J.M, LaRonde-LeBlanc, N, Rokita, S.E. | | Deposit date: | 2009-03-03 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of iodotyrosine deiodinase, a novel flavoprotein responsible for iodide salvage in thyroid glands.
J.Biol.Chem., 284, 2009
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4NWN
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28 | | Descriptor: | Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein | | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2013-12-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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3FV3
 | | Secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A | | Descriptor: | GLYCEROL, SULFATE ION, Sapp1p-secreted aspartic protease 1, ... | | Authors: | Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Sieglova, I, Pichova, I, Rezacova, P. | | Deposit date: | 2009-01-15 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structure of the secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A
J.Struct.Biol., 167, 2009
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4W92
 | | Crystal structure of Bacillus subtilis cyclic-di-AMP riboswitch ydaO | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, C-di-AMP ribsoswitch, ... | | Authors: | Jones, C.P, Ferre-D'Amare, A.R. | | Deposit date: | 2014-08-26 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.209 Å) | | Cite: | Crystal structure of a c-di-AMP riboswitch reveals an internally pseudo-dimeric RNA.
Embo J., 33, 2014
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6U2H
 | | BRAF dimer bound to 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf | | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
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