1XXJ
| Urate oxidase from aspergillus flavus complexed with 5-amino 6-nitro uracil | Descriptor: | 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE, BENZENE, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-11-05 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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6OJU
| Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, Thymidylate synthase,Thymidylate synthase | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | Deposit date: | 2019-04-12 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.884 Å) | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase. Febs Lett., 593, 2019
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6OJY
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6X5P
| Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | Descriptor: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6X0L
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6OEQ
| Cryo-EM structure of mouse RAG1/2 12RSS-PRC/23RSS-NFC complex (DNA1) | Descriptor: | CALCIUM ION, DNA (46-MER), DNA (57-MER), ... | Authors: | Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M. | Deposit date: | 2019-03-27 | Release date: | 2020-01-29 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cutting antiparallel DNA strands in a single active site. Nat.Struct.Mol.Biol., 27, 2020
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6OF3
| Precursor ribosomal RNA processing complex, State 1. | Descriptor: | CLP1_P domain-containing protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Pillon, M.C, Hsu, A.L, Krahn, J.M, Williams, J.G, Goslen, K.H, Sobhany, M, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2019-03-28 | Release date: | 2019-09-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM reveals active site coordination within a multienzyme pre-rRNA processing complex. Nat.Struct.Mol.Biol., 26, 2019
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4LV9
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6HTP
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1V2Z
| Crystal structure of the C-terminal domain of Thermosynechococcus elongatus BP-1 KaiA | Descriptor: | circadian clock protein KaiA homolog | Authors: | Uzumaki, T, Fujita, M, Nakatsu, T, Hayashi, F, Shibata, H, Itoh, N, Kato, H, Ishiura, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-10-20 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C-terminal clock-oscillator domain of the cyanobacterial KaiA protein NAT.STRUCT.MOL.BIOL., 11, 2004
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1V31
| Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana | Descriptor: | hypothetical protein RAFL11-05-P19 | Authors: | Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-10-21 | Release date: | 2004-04-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana To be Published
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6OGL
| X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6X42
| High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum | Descriptor: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ... | Authors: | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | Deposit date: | 2020-05-21 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen. Protein Sci., 29, 2020
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8AEI
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6OGV
| X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state | Descriptor: | Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier To Be Published
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6HV3
| Yeast 20S proteasome with human beta2i (1-53) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-10 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6WML
| Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | Descriptor: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | Deposit date: | 2020-04-21 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J.Med.Chem., 63, 2020
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8AGQ
| Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione | Descriptor: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol, GLUTATHIONE, Glutathione transferase, ... | Authors: | Eichenberger, M, Hueppi, S, Schwander, T, Mittl, P, Buller, M.R. | Deposit date: | 2022-07-20 | Release date: | 2023-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.093 Å) | Cite: | The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. Nat Catal, 6, 2023
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6WNQ
| E. coli ATP Synthase State 2a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6HW6
| Yeast 20S proteasome in complex with 20 | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6WEN
| Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | Descriptor: | CHLORIDE ION, Non-structural protein 3 | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-02 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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1V4R
| Solution structure of Streptmycal repressor TraR | Descriptor: | Transcriptional Repressor | Authors: | Tanaka, T, Komatsu, C, Kobayashi, K, Sugai, M, Kataoka, M, Kohno, T. | Deposit date: | 2003-11-17 | Release date: | 2005-03-01 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of Streptmycal repressor TraR TO BE PUBLISHED
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6WGR
| The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, GLYCEROL | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-06 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516 To Be Published
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5C6P
| protein C | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, protein C, protein D | Authors: | Lu, M. | Deposit date: | 2015-06-23 | Release date: | 2015-09-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the blockade of MATE multidrug efflux pumps. Nat Commun, 6, 2015
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6OJ0
| Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1) | Descriptor: | Structural protein VP4, Uncharacterized protein | Authors: | Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A packing for A-form DNA in an icosahedral virus. Proc.Natl.Acad.Sci.USA, 116, 2019
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