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8A2C
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BU of 8a2c by Molmil
The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Port, A, Smits, S.H.J.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
2J9P
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BU of 2j9p by Molmil
Crystal structure of the Bacillus subtilis PBP4a, and its complex with a peptidoglycan mimetic peptide.
分子名称: (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANINE, D-alanyl-D-alanine carboxypeptidase DacC
著者Sauvage, E, Herman, R, Kerff, F, Duez, C, Charlier, P.
登録日2006-11-15
公開日2007-07-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Bacillus subtilis penicillin-binding protein 4a, and its complex with a peptidoglycan mimetic peptide.
J. Mol. Biol., 371, 2007
2VGK
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BU of 2vgk by Molmil
Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin
分子名称: (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ...
著者Sauvage, E, kerff, F, Herman, R, Charlier, P.
登録日2007-11-14
公開日2008-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
7ZSZ
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BU of 7zsz by Molmil
Crystal structure of the GH11 domain of a multidomain xylanase from the hindgut metagenome of Trinervitermes trinervoides
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Anye, V, Schubert, W.D.
登録日2022-05-09
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
7JHD
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BU of 7jhd by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide
分子名称: 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L.
登録日2020-07-20
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021
6HSV
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BU of 6hsv by Molmil
Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E.
登録日2018-10-01
公開日2019-03-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
5U6D
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BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
分子名称: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5UPF
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BU of 5upf by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53
分子名称: 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
分子名称: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
1LYP
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BU of 1lyp by Molmil
THE SOLUTION STRUCTURE OF THE ACTIVE DOMAIN OF CAP18: A LIPOPOLYSACCHARIDE BINDING PROTEIN FROM RABBIT LEUKOCYTES
分子名称: CAP18
著者Chen, C, Huang, T.-H.
登録日1995-01-12
公開日1995-03-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the active domain of CAP18--a lipopolysaccharide binding protein from rabbit leukocytes.
FEBS Lett., 370, 1995
6KYQ
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BU of 6kyq by Molmil
Crystal structure of DCLK1 Autoinhibited Kinase Domain
分子名称: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
著者Yu, Y, Chen, Q.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
6KYR
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BU of 6kyr by Molmil
Crystal structure of DCLK1 mutant (P675L) Autoinhibited Kinase Domain
分子名称: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
著者Yu, Y, Chen, Q.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
1A7X
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BU of 1a7x by Molmil
FKBP12-FK1012 COMPLEX
分子名称: BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER, FKBP12
著者Schultz, L.W, Clardy, J.
登録日1998-03-18
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical inducers of dimerization: the atomic structure of FKBP12-FK1012A-FKBP12.
Bioorg.Med.Chem.Lett., 8, 1998
2HFT
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BU of 2hft by Molmil
THE CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR AT 1.7 ANGSTROMS RESOLUTION
分子名称: HUMAN TISSUE FACTOR, SULFATE ION
著者Muller, Y.A, De Vos, A.M.
登録日1995-09-08
公開日1996-01-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The crystal structure of the extracellular domain of human tissue factor refined to 1.7 A resolution.
J.Mol.Biol., 256, 1996
5YRQ
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BU of 5yrq by Molmil
Crystal structure of Rad5 and Rev1
分子名称: DNA repair protein RAD5,DNA repair protein REV1
著者Chen, Z.C, Zhou, C.Y.
登録日2017-11-09
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Involvement of budding yeast Rad5 in translesion DNA synthesis through physical interaction with Rev1.
Nucleic Acids Res., 44, 2016
5INE
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BU of 5ine by Molmil
Crystal structure of the prefusion glycoprotein of LCMV
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, Pre-glycoprotein polyprotein GP complex, ...
著者Hastie, K.M, Saphire, E.O.
登録日2016-03-07
公開日2016-04-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the prefusion surface glycoprotein of the prototypic arenavirus LCMV.
Nat.Struct.Mol.Biol., 23, 2016
6AU2
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BU of 6au2 by Molmil
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
分子名称: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
著者MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-30
公開日2017-10-11
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
1FKK
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BU of 1fkk by Molmil
ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN
分子名称: FK506 BINDING PROTEIN, SULFATE ION
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1FKL
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BU of 1fkl by Molmil
ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX
分子名称: FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1FKJ
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BU of 1fkj by Molmil
ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1PSM
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BU of 1psm by Molmil
SOLUTION STRUCTURE OF A POLYPEPTIDE CONTAINING FOUR HEPTAD REPEATS FROM A MEROZOITE SURFACE ANTIGEN OF PLASMODIUM FALCIPARUM
分子名称: SPAM-H1
著者Mulhern, T.D, Norton, R.S.
登録日1994-12-01
公開日1995-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a polypeptide containing four heptad repeat units from a merozoite surface antigen of Plasmodium falciparum.
Biochemistry, 34, 1995
2L5M
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BU of 2l5m by Molmil
Solution structure of GF-17 in complex with micelles
分子名称: GF-17
著者Wang, G.
登録日2010-11-02
公開日2011-11-02
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Decoding the Functional Roles of Cationic Side Chains of the Major Antimicrobial Region of Human Cathelicidin LL-37.
Antimicrob.Agents Chemother., 56, 2012
6EJF
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BU of 6ejf by Molmil
Thermus thermophilus PilF ATPase (apoprotein form)
分子名称: Type IV pilus assembly protein PilF
著者Derrick, J.P, Collins, R.F.
登録日2017-09-21
公開日2018-08-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structural cycle of the Thermus thermophilus PilF ATPase: the powering of type IVa pilus assembly.
Sci Rep, 8, 2018
7FCV
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BU of 7fcv by Molmil
Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana
分子名称: PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1
著者Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L.
登録日2021-07-15
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
6WPJ
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BU of 6wpj by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA Primer 21-mer, DNA template 27-mer, ...
著者Bertoletti, N, Anderson, K.S.
登録日2020-04-27
公開日2020-11-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance.
Molecules, 25, 2020

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