1DB3
 
 | | E.COLI GDP-MANNOSE 4,6-DEHYDRATASE | | Descriptor: | GDP-MANNOSE 4,6-DEHYDRATASE | | Authors: | Somoza, J.R, Menon, S, Somers, W.S, Sullivan, F.X. | | Deposit date: | 1999-11-02 | | Release date: | 1999-11-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic analysis of Escherichia coli GDP-mannose 4,6 dehydratase provides insights into the enzyme's catalytic mechanism and regulation by GDP-fucose.
Structure Fold.Des., 8, 2000
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7GH5
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714-12 (Mpro-x2908) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6GQQ
 | | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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3JAE
 | | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine-bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | | Deposit date: | 2015-06-08 | | Release date: | 2015-09-09 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy.
Nature, 526, 2015
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4RXO
 | | The structure of GTP-bound SAMHD1 | | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
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2OBM
 | | Structural and biochemical analysis of a prototypical ATPase from the type III secretion system of pathogenic bacteria | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, EscN | | Authors: | Zarivach, R, Vuckovic, M, Deng, W, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2006-12-19 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis of a prototypical ATPase from the type III secretion system.
Nat.Struct.Mol.Biol., 14, 2007
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4RZ0
 | | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c | | Descriptor: | PFL0690c, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-17 | | Release date: | 2015-01-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published
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2OCB
 | | Crystal structure of human RAB9B in complex with a GTP analogue | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-9B, ... | | Authors: | Hong, B, Shen, L, Walker, J.R, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human RAB9B in complex with a GTP analogue
To be Published
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4RTI
 | | The crystal structure of PsbP from Spinacia oleracea | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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2OEN
 | | Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors glucose-6-phosphate and fructose-1,6-bisphosphate | | Descriptor: | Catabolite control protein, Phosphocarrier protein HPr | | Authors: | Schumacher, M.A, Seidel, G, Hillen, W, Brennan, R.G. | | Deposit date: | 2006-12-30 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate.
J.Mol.Biol., 368, 2007
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3K19
 | | OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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1DIQ
 | | CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE WITH SUBSTRATE BOUND | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, HEME C, ... | | Authors: | Cunane, L.M, Chen, Z.W, Shamala, N, Mathews, F.S, Cronin, C.S, McIntire, W.S. | | Deposit date: | 1999-11-29 | | Release date: | 1999-12-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of the flavocytochrome p-cresol methylhydroxylase and its enzyme-substrate complex: gated substrate entry and proton relays support the proposed catalytic mechanism.
J.Mol.Biol., 295, 2000
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2O6B
 | | Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- new crystal form. | | Descriptor: | THIOESTERASE | | Authors: | Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W. | | Deposit date: | 2006-12-07 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
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2O7O
 | | Crystal structure analysis of TetR(D) complex with doxycycline | | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Aleksandrov, A, Proft, J, Hinrichs, W. | | Deposit date: | 2006-12-11 | | Release date: | 2007-05-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Protonation Patterns in Tetracycline:Tet Repressor Recognition: Simulations and Experiments
Chembiochem, 8, 2007
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4RWD
 | | XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-12-02 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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4TJY
 | | Crystal Structure of human Tankyrase 2 in complex with ABT-888. | | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4RXQ
 | | The structure of GTP-dUTP-bound SAMHD1 | | Descriptor: | DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
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2OK5
 | | Human Complement factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement factor B, ... | | Authors: | Milder, F.J, Gomes, L, Schouten, A, Janssen, B.J.C, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | | Deposit date: | 2007-01-16 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Factor B structure provides insights into activation of the central protease of the complement system.
Nat.Struct.Mol.Biol., 14, 2007
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6GXF
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1 | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2018-06-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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3JSZ
 | | Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc | | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O. | | Deposit date: | 2009-09-11 | | Release date: | 2010-02-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
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3JU6
 | | Crystal Structure of Dimeric Arginine Kinase in Complex with AMPPNP and Arginine | | Descriptor: | ARGININE, Arginine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z. | | Deposit date: | 2009-09-14 | | Release date: | 2009-09-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
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2P57
 | | GAP domain of ZNF289, an ID1-regulated zinc finger protein | | Descriptor: | GTPase-activating protein ZNF289, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Tong, Y, Dimov, S, Shen, L, Zhu, H, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-14 | | Release date: | 2007-03-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | GAP domain of ZNF289, an ID1-regulated zinc finger protein
To be Published
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5T0V
 | | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1 | | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-08-16 | | Release date: | 2016-08-31 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (17.5 Å) | | Cite: | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
J. Biol. Chem., 291, 2016
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3JXQ
 | | X-Ray structure of r[CGCG(5-fluoro)CG]2 | | Descriptor: | MAGNESIUM ION, r[CGCG(5-fluoro)CG]2 | | Authors: | Adamiak, D.A, Milecki, J, Adamiak, R.W, Rypniewski, W. | | Deposit date: | 2009-09-21 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The hydration and unusual hydrogen bonding in the crystal structure of an RNA duplex containing alternating CG base pairs
New J.Chem., 34, 2010
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3K9O
 | | The crystal structure of E2-25K and UBB+1 complex | | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 K | | Authors: | Kang, G.B, Ko, S, Song, S.M, Lee, W, Eom, S.H. | | Deposit date: | 2009-10-16 | | Release date: | 2010-09-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of E2-25K/UBB+1 Interaction for Neurotoxicity of Alzheimer Disease by Proteasome Inhibition
To be Published
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