3V0U
 
 | | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | | 分子名称: | Perakine reductase | | 著者 | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | | 登録日 | 2011-12-08 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
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7SL9
 | | CryoEM structure of SMCT1 | | 分子名称: | Sodium-coupled monocarboxylate transporter 1, butanoic acid, nanobody Nb2 | | 著者 | Qu, Q, Han, L, Panova, O, Feng, L, Skiniotis, G. | | 登録日 | 2021-10-23 | | 公開日 | 2021-12-15 | | 最終更新日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure and mechanism of the SGLT family of glucose transporters.
Nature, 601, 2022
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6R3E
 | | Human DNMT3B PWWP domain in complex with triisopropanolamine | | 分子名称: | DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B, SULFATE ION, Triisopropanolamine | | 著者 | Rondelet, G, Dal Maso, T, Wouters, J. | | 登録日 | 2019-03-20 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.269 Å) | | 主引用文献 | Targeting PWWP domain of DNMT3B for epigenetic cancer therapy: identification and structural characterization of potential protein-protein interaction inhibitors
To be published
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5Y7F
 | | Crystal structure of catalytic domain of UGGT (UDP-bound form) from Thermomyces dupontii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, UGGT, ... | | 著者 | Satoh, T, Song, C, Zhu, T, Toshimori, T, Murata, K, Hayashi, Y, Kamikubo, H, Uchihashi, T, Kato, K. | | 登録日 | 2017-08-17 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
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4Q2B
 | | The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-D-glucanase, FORMIC ACID, ... | | 著者 | Tan, K, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-04-07 | | 公開日 | 2014-06-25 | | 最終更新日 | 2015-04-29 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440
To be Published
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6EXW
 | | Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM | | 分子名称: | (3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | 著者 | Corti, A, Cossu, F, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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5LE8
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_15_D12 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DD_D12_15_D12, GLYCEROL, ... | | 著者 | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | 登録日 | 2016-06-29 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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1Z7X
 | | X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I | | 分子名称: | CITRIC ACID, Ribonuclease I, Ribonuclease inhibitor | | 著者 | McCoy, J.G, Johnson, R.J, Raines, R.T, Bitto, E, Bingman, C.A, Wesenberg, G.E, Allard, S.T.M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2005-03-28 | | 公開日 | 2005-06-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor protein.
J.Mol.Biol., 368, 2007
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3CJG
 | | Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | | 分子名称: | N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2 | | 著者 | Nolte, R.T. | | 登録日 | 2008-03-12 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
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1PJI
 | | Crystal structure of wild type Lactococcus lactis FPG complexed to a 1,3 propanediol containing DNA | | 分子名称: | DNA (5'-D(*CP*TP*CP*TP*TP*TP*(PDI)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), Formamidopyrimidine-DNA glycosylase, ... | | 著者 | Pereira, K, Serre, L, Zelwer, C, Castaing, B. | | 登録日 | 2003-06-03 | | 公開日 | 2004-08-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural insights into abasic site for Fpg specific binding and catalysis: comparative high-resolution crystallographic studies of Fpg bound to various models of abasic site analogues-containing DNA.
Nucleic Acids Res., 33, 2005
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7QF8
 | | Crystal structure of a bacterial pyranose 2-oxidase from Pseudoarthrobacter siccitolerans | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, ... | | 著者 | Borges, P.T, Frazao, T, Taborda, A, Frazao, C, Martins, L.O. | | 登録日 | 2021-12-04 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | | 主引用文献 | Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
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3NSG
 | | Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi | | 分子名称: | CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ... | | 著者 | Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S. | | 登録日 | 2010-07-01 | | 公開日 | 2011-07-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
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8BAD
 | | Tpp80Aa1 | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | 著者 | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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6FYI
 | | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | | 著者 | Kallen, J. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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4PDD
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE | | 分子名称: | (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ... | | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-04-18 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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3Q3T
 | | Alkyl Amine Renin Inhibitors: Filling S1 from S3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Wu, Z, McKeever, B. | | 登録日 | 2010-12-22 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.
Bioorg.Med.Chem.Lett., 21, 2011
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3KYD
 | | Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic | | 分子名称: | 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ... | | 著者 | Lima, C.D. | | 登録日 | 2009-12-05 | | 公開日 | 2010-02-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | 分子名称: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | 著者 | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | 登録日 | 2020-05-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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5KA2
 | | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant, open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5JY5
 | | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Bravo-Chaucanes, C.P, Abadio, A.K.R, Kioshima, E.S, Felipe, M.S.S, Barbosa, J.A.R.G. | | 登録日 | 2016-05-13 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution
To Be Published
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8F5L
 | | Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | | 著者 | Zeug, M, Offenbacher, A.R, Choe, J. | | 登録日 | 2022-11-14 | | 公開日 | 2023-01-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
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5KAC
 | | Protein Tyrosine Phosphatase 1B P185G mutant, open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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8SNG
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6WIT
 | | Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold | | 分子名称: | 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ... | | 著者 | Liban, T, Aljedani, S, Rodarte, J, Pancera, M. | | 登録日 | 2020-04-10 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6WRP
 | | Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III | | 分子名称: | 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Weidle, C, Pancera, M. | | 登録日 | 2020-04-29 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
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