1U68
 
 | | DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | | Descriptor: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | Deposit date: | 2004-07-29 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.
J.MED.CHEM., 47, 2004
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6TQA
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ... | | Authors: | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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6T2O
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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1TTW
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6MYZ
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ520
To Be Published
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6N19
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-08 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6TL4
 | | Photosensory module (PAS-GAF-PHY) of Glycine max phyB | | Descriptor: | PHYCOCYANOBILIN, Phytochrome | | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | | Deposit date: | 2019-12-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
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4LT5
 | | Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA, MANGANESE (II) ION, ... | | Authors: | Hashimoto, H, Pais, J.E, Zhang, X, Saleh, L, Fu, Z.Q, Dai, N, Correa, I.R, Roberts, R.J, Zheng, Y, Cheng, X. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA.
Nature, 506, 2014
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6V40
 | | Structure of Salmonella Typhi TtsA | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PG_binding_3 domain-containing protein | | Authors: | Galan, J.E, Lara-Tejero, M. | | Deposit date: | 2019-11-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Mechanisms of substrate recognition by a typhoid toxin secretion-associated muramidase.
Elife, 9, 2020
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6TQB
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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1UO5
 | | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene | | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y. | | Deposit date: | 2003-09-15 | | Release date: | 2004-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
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1UKF
 | | Crystal Structure of Pseudomonas Avirulence Protein AvrPphB | | Descriptor: | Avirulence protein AVRPPH3 | | Authors: | Zhu, M, Shao, F, Innes, R.W, Dixon, J.E, Xu, Z. | | Deposit date: | 2003-08-21 | | Release date: | 2003-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The crystal structure of Pseudomonas avirulence protein AvrPphB: a papain-like fold with a distinct substrate-binding site.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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4NKF
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | | Authors: | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | | Deposit date: | 2013-11-12 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
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4NG6
 | | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2013-11-01 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
TO BE PUBLISHED
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4N6T
 | | Adhiron: a stable and versatile peptide display scaffold - full length adhiron | | Descriptor: | Adhiron | | Authors: | Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J. | | Deposit date: | 2013-10-14 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
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4MW1
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444) | | Descriptor: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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6WP8
 | | Proton-pumping mutant of Mastigocladopsis repens rhodopsin chloride pump | | Descriptor: | Proton-pumping rhodopsin chloride pump, RETINAL, octyl beta-D-glucopyranoside | | Authors: | Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T. | | Deposit date: | 2020-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
J.Biol.Chem., 295, 2020
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6WJP
 | | Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ARGININE, ... | | Authors: | Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
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4N5R
 | | Hen egg-white lysozyme phased using free-electron laser data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | | Deposit date: | 2013-10-10 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
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1RRK
 | | Crystal Structure Analysis of the Bb segment of Factor B | | Descriptor: | COBALT (II) ION, Complement factor B, IODIDE ION, ... | | Authors: | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | | Deposit date: | 2003-12-08 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Mol.Cell, 14, 2004
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1RS0
 | | Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) | | Descriptor: | Complement factor B, DIISOPROPYL PHOSPHONATE, IODIDE ION, ... | | Authors: | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | | Deposit date: | 2003-12-09 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Mol.Cell, 14, 2004
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1RR8
 | | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | | Deposit date: | 2003-12-08 | | Release date: | 2004-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
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1RRY
 | | DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | | Descriptor: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | Deposit date: | 2003-12-09 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
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1RAL
 | | THREE-DIMENSIONAL STRUCTURE OF RAT LIVER 3ALPHA-HYDROXYSTEROID(SLASH)DIHYDRODIOL DEHYDROGENASE: A MEMBER OF THE ALDO-KETO REDUCTASE SUPERFAMILY | | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE | | Authors: | Hoog, S.S, Pawlowski, J.E, Alzari, P.M, Penning, T.M, Lewis, M. | | Deposit date: | 1994-02-04 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Three-dimensional structure of rat liver 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase: a member of the aldo-keto reductase superfamily.
Proc.Natl.Acad.Sci.USA, 91, 1994
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1RMD
 | | RAG1 DIMERIZATION DOMAIN | | Descriptor: | RAG1, ZINC ION | | Authors: | Bellon, S.F, Rodgers, K.K, Schatz, D.G, Coleman, J.E, Steitz, T.A. | | Deposit date: | 1997-01-10 | | Release date: | 1997-07-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the RAG1 dimerization domain reveals multiple zinc-binding motifs including a novel zinc binuclear cluster.
Nat.Struct.Biol., 4, 1997
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