5JHS
 
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3CSB
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5FZ7
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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8SIS
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3CSO
 | | HCV Polymerase in complex with a 1,5 Benzodiazepine inhibitor | | Descriptor: | (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, RNA-directed RNA polymerase | | Authors: | Nyanguile, O. | | Deposit date: | 2008-04-10 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | 1,5-benzodiazepines, a novel class of hepatitis C virus polymerase nonnucleoside inhibitors.
Antimicrob.Agents Chemother., 52, 2008
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5J99
 | | Ambient temperature transition state structure of arginine kinase - crystal 8/Form I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
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3CTI
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5FL1
 | | Structure of a hydrolase with an inhibitor | | Descriptor: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. | | Deposit date: | 2015-10-20 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
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5FO2
 | | Structure of human transthyretin mutant A108I | | Descriptor: | TRANSTHYRETIN | | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
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3CTN
 | | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | | Descriptor: | CALCIUM ION, TROPONIN C | | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | | Deposit date: | 1997-05-08 | | Release date: | 1998-05-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
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3CTM
 | | Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity | | Descriptor: | Carbonyl Reductase | | Authors: | Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z. | | Deposit date: | 2008-04-14 | | Release date: | 2008-05-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
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5FXQ
 | | IGFR-1R complex with a pyrimidine inhibitor. | | Descriptor: | 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine, INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR | | Authors: | Degorce, S, Boyd, S, Curwen, J, Ducray, R, Halsall, C, Jones, C, Lach, F, Lenz, E, Pass, M, Pass, S, Trigwell, C, Norman, R, Phillips, C. | | Deposit date: | 2016-03-02 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R).
J. Med. Chem., 59, 2016
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5FJ4
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5FLS
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-10-28 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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5J9L
 | | Crystal structure of CPT1691 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-10 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7515 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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8HBR
 | | The C-terminal domain of Spiral2 | | Descriptor: | TOG domain-containing protein | | Authors: | Hayashi, I. | | Deposit date: | 2022-10-30 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the C-terminal domain of the plant-specific microtubule-associated protein Spiral2.
Acta Crystallogr.,Sect.F, 79, 2023
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5J9O
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5FNQ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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3CWG
 | | Unphosphorylated mouse STAT3 core fragment | | Descriptor: | Signal transducer and activator of transcription 3 | | Authors: | Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S. | | Deposit date: | 2008-04-21 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of unphosphorylated STAT3 core fragment.
Biochem.Biophys.Res.Commun., 374, 2008
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5FZQ
 | | Designed TPR Protein M4N | | Descriptor: | DESIGNED TPR PROTEIN, SULFATE ION | | Authors: | Albrecht, R, Zhu, H, Hartmann, M.D. | | Deposit date: | 2016-03-15 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | Origin of a folded repeat protein from an intrinsically disordered ancestor.
Elife, 5, 2016
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3CWY
 | | Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions | | Descriptor: | COPPER (II) ION, protein CagD | | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
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5JK5
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5FE7
 | | Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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2HWL
 | | Crystal structure of thrombin in complex with fibrinogen gamma' peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen gamma' peptide, Prothrombin, ... | | Authors: | Pineda, A.O, Chen, Z.W, Marino, F, Mathews, F.S, Mosesson, M.W, Di Cera, E. | | Deposit date: | 2006-08-01 | | Release date: | 2006-09-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of thrombin in complex with fibrinogen gamma' peptide.
Biophys.Chem., 125, 2007
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5FEG
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