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3HDK
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Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-07
公開日2010-04-28
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HIY
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Minor Editosome-Associated TUTase 1 with bound UTP and Mg
分子名称: MAGNESIUM ION, Minor Editosome-Associated TUTase, URIDINE 5'-TRIPHOSPHATE
著者Stagno, J, Luecke, H.
登録日2009-05-20
公開日2010-05-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization.
J.Mol.Biol., 399, 2010
3HE2
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Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis
分子名称: TRIETHYLENE GLYCOL, enoyl-CoA hydratase echA6
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-05-07
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HDM
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Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
分子名称: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HJ4
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BU of 3hj4 by Molmil
Minor Editosome-Associated TUTase 1
分子名称: Minor Editosome-Associated TUTase
著者Stagno, J, Luecke, H.
登録日2009-05-20
公開日2010-05-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization.
J.Mol.Biol., 399, 2010
3HJ1
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Minor Editosome-Associated TUTase 1 with bound UTP
分子名称: Minor Editosome-Associated TUTase, URIDINE 5'-TRIPHOSPHATE
著者Stagno, J, Luecke, H.
登録日2009-05-20
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization.
J.Mol.Biol., 399, 2010
5ITE
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BU of 5ite by Molmil
2.2-Angstrom in meso crystal structure of Haloquadratum Walsbyi Bacteriorhodopsin (HwBR) from Octylglucoside (OG) Detergent Micelles
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ...
著者Broecker, J, Eger, B.T, Ernst, O.P.
登録日2016-03-16
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Crystallogenesis of Membrane Proteins Mediated by Polymer-Bounded Lipid Nanodiscs.
Structure, 25, 2017
1AXE
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CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Chin, J.K, Goldstein, B.M.
登録日1997-10-15
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
8G5B
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BU of 8g5b by Molmil
Influenza A H3N2 X-31 Hemagglutinin in complex with FL-1061
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FL-1061 heavy chain, FL-1061 light chain, ...
著者Windsor, I.W, Thornlow, D, Schmidt, A.G.
登録日2023-02-12
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Fabs elicited by hyperglycosylated immunogen
To Be Published
5X7D
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BU of 5x7d by Molmil
Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist
分子名称: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K.
登録日2017-02-25
公開日2017-08-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
8G5A
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BU of 8g5a by Molmil
X-31 hemagglutinin in complex with FL-1061 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FL-1086 Fab heavy chain, FL-1086 light chain, ...
著者Windsor, I.W, Thornlow, D, Schmidt, A.G.
登録日2023-02-12
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Antibodies elicited by a hyperglycoslated immunogen
To Be Published
8AG6
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BU of 8ag6 by Molmil
human MutSalpha (MSH2/MSH6) binding to DNA with a GT mismatch
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (50-MER), DNA mismatch repair protein Msh2, ...
著者Bruekner, S.R, Sixma, T.K.
登録日2022-07-19
公開日2023-01-25
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unexpected moves: a conformational change in MutS alpha enables high-affinity DNA mismatch binding.
Nucleic Acids Res., 51, 2023
6YF1
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FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution
分子名称: (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF2
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FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution
分子名称: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF0
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FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution
分子名称: 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
7NWU
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BU of 7nwu by Molmil
Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII
分子名称: PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ...
著者Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
登録日2021-03-17
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
8OEI
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BU of 8oei by Molmil
SFX structure of FutA after an accumulated dose of 350 kGy
分子名称: FE (III) ION, Putative iron ABC transporter, substrate binding protein
著者Bolton, R, Tews, I.
登録日2023-03-10
公開日2023-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
著者Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8BIO
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BU of 8bio by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
著者Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8OF3
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Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PENTAETHYLENE GLYCOL, ...
著者Morera, S, Kopecny, D, Vigouroux, A.
登録日2023-03-13
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.348 Å)
主引用文献A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
8OF1
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Structure of ALDH5F1 from moss Physcomitrium patens in complex with NAD+ in the contracted conformation
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Kopecny, D, Vigouroux, A.
登録日2023-03-13
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
8OFM
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Structure of the ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens in complex with NAD in an extended conformation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Morera, S, Kopecny, D, Vigouroux, A.
登録日2023-03-16
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
1AXG
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BU of 1axg by Molmil
CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P.
登録日1997-10-15
公開日1998-04-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
8BCQ
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BU of 8bcq by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (native crystal structure)
分子名称: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION
著者Benas, P, Jaramillo Ponce, J.R, Frugier, M, Sauter, C.
登録日2022-10-17
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
7ZKX
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BU of 7zkx by Molmil
SRPK2 IN COMPLEX WITH INHIBITOR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, ...
著者Graedler, U.
登録日2022-04-13
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023

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