2VQG
 
 | | Crystal structure of PorB from Corynebacterium glutamicum (crystal form I) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol, ACETATE ION, ... | | Authors: | Ziegler, K, Benz, R, Schulz, G.E. | | Deposit date: | 2008-03-15 | | Release date: | 2008-05-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
J.Mol.Biol., 379, 2008
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5AQS
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, HEAT SHOCK COGNATE 71 KDA PROTEIN, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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3DWW
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1KYS
 | | Crystal Structure of a Zn-bound Green Fluorescent Protein Biosensor | | Descriptor: | Green Fluorescent Protein, ZINC ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2002-02-05 | | Release date: | 2002-04-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural chemistry of a green fluorescent protein Zn biosensor.
J.Am.Chem.Soc., 124, 2002
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5ANR
 | | Structure of a human 4E-T - DDX6 - CNOT1 complex | | Descriptor: | CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TRANSPORTER, PROBABLE ATP-DEPENDENT RNA HELICASE DDX6 | | Authors: | Basquin, J, Oezguer, S, Conti, E. | | Deposit date: | 2015-09-08 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structure of a Human 4E-T/Ddx6/Cnot1 Complex Reveals the Different Interplay of Ddx6-Binding Proteins with the Ccr4-not Complex.
Cell Rep., 13, 2015
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2VQL
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5CT1
 | | The structure of the NK1 fragment of HGF/SF complexed with CHES | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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2VOF
 | | Structure of mouse A1 bound to the Puma BH3-domain | | Descriptor: | BCL-2-BINDING COMPONENT 3, BCL-2-RELATED PROTEIN A1, CHLORIDE ION | | Authors: | Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
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2ANM
 | | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | | Descriptor: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | | Deposit date: | 2005-08-11 | | Release date: | 2006-06-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
Bioorg.Med.Chem.Lett., 16, 2006
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4BSV
 | | Heterodimeric Fc Antibody Azymetric Variant 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, ... | | Authors: | Suits, M.D.L, Spreter, T, Cabrera, E.E, Dixit, S.B, Lario, P.I, Poon, D.K.Y, D'Angelo, I.E.P, Boulanger, M.J. | | Deposit date: | 2013-06-11 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design.
Mabs, 5, 2013
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6J3O
 | | Crystal structure of the human PCAF bromodomain in complex with compound 12 | | Descriptor: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | | Authors: | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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2W46
 | | CBM35 from Cellvibrio japonicus Abf62 | | Descriptor: | CALCIUM ION, ESTERASE D, SODIUM ION | | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2008-11-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3MFF
 | | 1F1E8hu TCR | | Descriptor: | ARGININE, GLYCEROL, T cell receptor alpha chain, ... | | Authors: | van Boxel, G.I, Holmes, S, Fugger, L, Jones, E.Y. | | Deposit date: | 2010-04-02 | | Release date: | 2010-06-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An alternative conformation of the T-cell receptor alpha constant region
J.Mol.Biol., 400, 2010
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1I7Q
 | | ANTHRANILATE SYNTHASE FROM S. MARCESCENS | | Descriptor: | ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ... | | Authors: | Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E. | | Deposit date: | 2001-03-10 | | Release date: | 2001-05-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2WF3
 | | Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide | | Descriptor: | BETA-SECRETASE 1, GLYCEROL, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2009-04-02 | | Release date: | 2009-05-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
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8WWZ
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4CA8
 | | Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FII | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, SULFATE ION, ... | | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | | Deposit date: | 2013-10-07 | | Release date: | 2013-12-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme.
FEBS J., 281, 2014
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4LKT
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2WTO
 | | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | | Deposit date: | 2009-09-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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2AGY
 | | Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | Deposit date: | 2005-07-27 | | Release date: | 2006-04-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2JEA
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2X19
 | | Crystal structure of Importin13 - RanGTP complex | | Descriptor: | GTP-BINDING NUCLEAR PROTEIN GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, IMPORTIN-13, ... | | Authors: | Bono, F, Cook, A.G, Gruenwald, M, Ebert, J, Conti, E. | | Deposit date: | 2009-12-23 | | Release date: | 2010-02-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Nuclear Import Mechanism of the Ejc Component Mago- Y14 Revealed by Structural Studies of Importin 13.
Mol.Cell, 37, 2010
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2JE4
 | | Atomic-resolution crystal structure of chemically-synthesized HIV-1 protease in complex with JG-365 | | Descriptor: | ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ... | | Authors: | Malito, E, Johnson, E.C.B, Tang, W.J. | | Deposit date: | 2007-01-15 | | Release date: | 2007-08-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Modular Total Chemical Synthesis of a Human Immunodeficiency Virus Type 1 Protease.
J.Am.Chem.Soc., 129, 2007
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2WIM
 | | Crystal structure of NCAM2 IG1-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAL CELL ADHESION MOLECULE 2 | | Authors: | Kulahin, N, Kristensen, O, Rasmussen, K, Kastrup, J, Berezin, V, Bock, E, Walmod, P, Gajhede, M. | | Deposit date: | 2009-05-13 | | Release date: | 2010-08-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural model and trans-interaction of the entire ectodomain of the olfactory cell adhesion molecule.
Structure, 19, 2011
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3MHZ
 | | 1.7A structure of 2-fluorohistidine labeled Protective Antigen | | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Wimalasena, D.S, Janowiak, B.E, Miyagi, M, Sun, J, Hajduch, J, Pooput, C, Kirk, K.L, Bann, J.G. | | Deposit date: | 2010-04-09 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation.
Biochemistry, 49, 2010
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