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6DVX
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Citrobacter freundii tyrosine phenol-lyase F448A mutant complexed with L-phenylalanine
分子名称: (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Phillips, R.S.
登録日2018-06-25
公開日2018-10-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structures of Wild-Type and F448A Mutant Citrobacter freundii Tyrosine Phenol-Lyase Complexed with a Substrate and Inhibitors: Implications for the Reaction Mechanism.
Biochemistry, 57, 2018
6DWB
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BU of 6dwb by Molmil
Structure of the Salmonella SPI-1 type III secretion injectisome needle filament
分子名称: Protein PrgI
著者Hu, J, Hong, C, Worrall, L.J, Vuckovic, M, Yu, Z, Strynadka, N.C.J.
登録日2018-06-26
公開日2018-10-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin.
Nat Commun, 9, 2018
6DWQ
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Subtilisin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, KerA, ...
著者Luo, M, Eaton, C.N, Phillips-Piro, C.M.
登録日2018-06-27
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Paired Spectroscopic and Crystallographic Studies of Protease Active Sites
Chemistryselect, 4, 2019
6DWU
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Crystal structure of complex of BBKI and Bovine Trypsin
分子名称: Cationic trypsin, Kunitz-type inihibitor
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2018-06-28
公開日2019-01-30
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
3UH1
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BU of 3uh1 by Molmil
Crystal Structure of Saccharopine Dehydrogenase from Saccharomyces cerevisiae with bound saccharopine and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID, ...
著者Kumar, V.P, Thomas, L.M, Bobyk, K.D, Andi, B, West, A.H, Cook, P.F.
登録日2011-11-03
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
6D84
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Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Buffalo, C.Z, Morris, K.L, Hurley, J.H.
登録日2018-04-25
公開日2018-08-08
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.72 Å)
主引用文献HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6DPW
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BU of 6dpw by Molmil
Undecorated GTPgammaS microtubule
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, R, Nogales, E.
登録日2018-06-09
公開日2018-07-04
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Separating the effects of nucleotide and EB binding on microtubule structure.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DRG
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BU of 6drg by Molmil
NMR solution structure of wild type hFABP1 with GW7647
分子名称: 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver
著者Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
登録日2018-06-11
公開日2018-12-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
6DSP
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BU of 6dsp by Molmil
LsrB from Clostridium saccharobutylicum in complex with AI-2
分子名称: (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, Autoinducer 2-binding protein LsrB
著者Torcato, I.M, Xavier, K.B, Miller, S.T.
登録日2018-06-14
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Identification of novel autoinducer-2 receptors inClostridiareveals plasticity in the binding site of the LsrB receptor family.
J.Biol.Chem., 294, 2019
6DT0
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BU of 6dt0 by Molmil
Cryo-EM structure of a mitochondrial calcium uniporter
分子名称: CALCIUM ION, Mitochondrial calcium uniporter
著者Yoo, J, Wu, M, Yin, Y, Herzik, M.A.J, Lander, G.C, Lee, S.-Y.
登録日2018-06-14
公開日2018-07-11
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of a mitochondrial calcium uniporter.
Science, 361, 2018
6DTW
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HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
登録日2018-06-18
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.742 Å)
主引用文献Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
7Y0G
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BU of 7y0g by Molmil
Crystal structure of anti-mPEG h15-2b Fab
分子名称: 15-2b heavy chain, 15-2b light chain, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
著者Chang, C.Y, Nguyen, T.M.T, Lin, E.C, Su, Y.C.
登録日2022-06-05
公開日2022-08-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group.
Commun Chem, 5, 2022
6DV3
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Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG in the open gate state
分子名称: Protein InvG
著者Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J.
登録日2018-06-22
公開日2018-10-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin.
Nat Commun, 9, 2018
6DWD
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SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DH1
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BU of 6dh1 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DHD
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Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Smith, T.J.
登録日2018-05-19
公開日2018-07-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
5K7J
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BU of 5k7j by Molmil
Structure of designed zinc binding protein ZE2 bound to Zn2+
分子名称: Indole-3-glycerol phosphate synthase, ZINC ION
著者Guffy, S.L, Der, B.S, Kuhlman, B.
登録日2016-05-26
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Probing the minimal determinants of zinc binding with computational protein design.
Protein Eng.Des.Sel., 29, 2016
6D4S
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BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D56
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Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
7XRR
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BU of 7xrr by Molmil
Crystal structure of the human OX2R bound to the insomnia drug lemborexant.
分子名称: (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 2
著者Asada, H, Im, D, Iwata, S.
登録日2022-05-11
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor.
Structure, 30, 2022
4U26
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BU of 4u26 by Molmil
Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
登録日2014-07-16
公開日2014-07-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
6D5Z
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BU of 6d5z by Molmil
Cis form of Hemolysin II C-terminal domain
分子名称: Hemolysin II
著者Kaplan, A.R, Alexandrescu, A.T, Olson, R.
登録日2018-04-19
公開日2019-04-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Trans form of HemolysinII c-terminal domain
To Be Published
6DIF
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Wild-type HIV-1 protease in complex with tipranavir
分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2018-05-23
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
7XY8
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Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN)
分子名称: Isoform 2 of Basigin, heavy chain, light chain
著者Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K.
登録日2022-06-01
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
6DIL
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HIV-1 protease with single mutation L76V in complex with tipranavir
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2018-05-23
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018

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