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5APJ
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Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5APF
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BU of 5apf by Molmil
Hen Egg White Lysozyme reference dataset even frames
分子名称: LYSOZYME C, SODIUM ION
著者Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G.
登録日2015-09-15
公開日2016-01-13
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
5BOJ
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BU of 5boj by Molmil
Crystal Structure of Human Transthyretin in Complex with Gemfibrozil
分子名称: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, SODIUM ION, Transthyretin
著者Begum, A, Olofsson, A, Sauer-Eriksson, A.E.
登録日2015-05-27
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma.
J.Med.Chem., 58, 2015
5BNQ
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BU of 5bnq by Molmil
Crystal structure of hRANKL-mRANK complex
分子名称: CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ...
著者Ren, J.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis.
Sci Rep, 5, 2015
4XO3
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BU of 4xo3 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Leucine
分子名称: Aminopeptidase N, GLYCEROL, LEUCINE, ...
著者Addlagatta, A, Gumpena, R.
登録日2015-01-16
公開日2016-01-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of E. coli Aminopeptidase N in complex with L-Leucine
To Be Published
5BV6
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BU of 5bv6 by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP
分子名称: ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ...
著者Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日2015-06-04
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
5B4T
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BU of 5b4t by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
分子名称: (3R)-3-hydroxybutanoic acid, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2016-04-19
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
6JD0
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BU of 6jd0 by Molmil
Structure of mutant human cathepsin L, engineered for GAG binding
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cathepsin L1, ...
著者Choudhury, D, Biswas, S.
登録日2019-01-30
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structure-guided protein engineering of human cathepsin L for efficient collagenolytic activity.
Protein Eng.Des.Sel., 34, 2021
5B4U
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BU of 5b4u by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
分子名称: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2016-04-19
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
5BN8
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BU of 5bn8 by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
6JPR
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BU of 6jpr by Molmil
Crystal structure of Phycocyanin from Nostoc sp. R76DM
分子名称: GLYCEROL, PHYCOCYANOBILIN, Phycocyanin, ...
著者Sonani, R.R, Gupta, G.D, Rastogi, R.P, Patel, S.N, Madamwar, D, Kumar, V.
登録日2019-03-27
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Phylogenetic and crystallographic analysis of Nostoc phycocyanin having blue-shifted spectral properties.
Sci Rep, 9, 2019
5JXG
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BU of 5jxg by Molmil
Structure of the unliganded form of the proprotein convertase furin.
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
6NFP
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BU of 6nfp by Molmil
1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
分子名称: 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ...
著者Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-20
公開日2019-01-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
分子名称: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
分子名称: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
5BWI
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BU of 5bwi by Molmil
Crystallographic structure of a bacterial heparanase
分子名称: ACETATE ION, GLYCEROL, Glycoside Hydrolase Family 79, ...
著者Yu, X, Blanchard, H.
登録日2015-06-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and structural characterization of a heparanase.
Nat.Chem.Biol., 11, 2015
5BW6
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BU of 5bw6 by Molmil
Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site.
分子名称: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2015-06-06
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
6NW9
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BU of 6nw9 by Molmil
CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
著者Greenfield, J.Y, Herzberg, O.
登録日2019-02-06
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019
6Z6I
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BU of 6z6i by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPD
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-28
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6YU8
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BU of 6yu8 by Molmil
RNA Methyltransferase of Sudan Ebola Virus
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ferron, F, Valle, C, Zamboni, V, Canard, B, Decroly, E.
登録日2020-04-25
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献First insights into the structural features of Ebola virus methyltransferase activities.
Nucleic Acids Res., 49, 2021
6NS0
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BU of 6ns0 by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Cladosporin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-01-24
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Cladosporin
to be published
4GCV
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BU of 4gcv by Molmil
Structure of a Putative transcription factor (PA1374)from Pseudomonas aeruginosa
分子名称: GLYCEROL, PHOSPHATE ION, Putative transcription protein, ...
著者Choe, J, Kim, H.
登録日2012-07-31
公開日2013-07-24
最終更新日2013-07-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray crystal structure of PA1374 from Pseudomonas aeruginosa, a putative oxidative-stress sensing transcriptional regulator.
Biochem.Biophys.Res.Commun., 431, 2013
6NR0
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BU of 6nr0 by Molmil
SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ...
著者Price, I.R, Hong, J.
登録日2019-01-22
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
Acs Chem.Biol., 14, 2019
6NRZ
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Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Adenosine
分子名称: 1,2-ETHANEDIOL, ADENOSINE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-01-24
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Adenosine
to be published

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件を2024-08-07に公開中

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