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8EG6
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huCaspase-6 in complex with inhibitor 2a
分子名称: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
登録日2022-09-11
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8QD3
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Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
分子名称: 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8EG5
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huCaspase-6 in complex with inhibitor 3a
分子名称: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
著者Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
登録日2022-09-11
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8QD7
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Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin
分子名称: Yellowish-green 1-like protein
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QBI
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AntI in closed state
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-24
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD4
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Ayg1p active site converted to tetrahedral sulfonate ester
分子名称: Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD8
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Wdyg1p in complex with 1,3-Dihydroxynaphthalene
分子名称: 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3-diol
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QDA
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Wdyg1p Ser256DHA (PMSF)
分子名称: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD1
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Ayg1p from A. fumigatus catalyzes polyketide shortening in the biosynthesis of DHN-melanin
分子名称: Pigment biosynthesis protein yellowish-green 1
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD5
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AntI Ser245DHA (PSF)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD9
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Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
分子名称: 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD6
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AntI Ser245DHA (PMSF)
分子名称: ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QDB
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Wdyg1p Ser256DHA (PSF)
分子名称: 1,2-ETHANEDIOL, Yellowish-green 1-like protein
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QBH
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BU of 8qbh by Molmil
AntI in complex with 1-Naphthol
分子名称: 1-NAPHTHOL, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-24
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
5ISZ
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Crystal structure of LS01-TCR/M1-HLA-A*02 complex
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Stern, L.J, Selin, L.K, Song, I.
登録日2016-03-15
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope.
Nat. Struct. Mol. Biol., 24, 2017
5J3H
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Human insulin receptor domains L1-CR in complex with peptide S519C16 and 83-7 Fv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lawrence, M, Menting, J, Lawrence, C.
登録日2016-03-30
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Insulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor.
J.Biol.Chem., 291, 2016
6QPW
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Structural basis of cohesin ring opening
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sister chromatid cohesion protein 1, ...
著者Panne, D, Muir, K.W, Li, Y, Weis, F.
登録日2019-02-15
公開日2020-02-05
最終更新日2020-03-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening.
Nat.Struct.Mol.Biol., 27, 2020
7R8P
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Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CHLORIDE ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
7R8Q
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Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
6QYG
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4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
著者Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QYF
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4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
著者Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
5KOV
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BU of 5kov by Molmil
Crystal structure of the human astrovirus 2 capsid protein spike in complex with a single chain variable fragment of an astrovirus neutralizing antibody at 3.24-A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid polyprotein VP90, PL-2 scFv chain
著者Bogdanoff, W.A, DuBois, R.M.
登録日2016-07-01
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.245 Å)
主引用文献Structure of a Human Astrovirus Capsid-Antibody Complex and Mechanistic Insights into Virus Neutralization.
J. Virol., 91, 2017
8F91
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OxyB, a cytochrome P450 involved in keratinimicin biosynthesis
分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE
著者Ireland, K.A, Davis, K.M.
登録日2022-11-22
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated by the Structure and Selectivity of OxyB.
Acs Chem.Biol., 18, 2023
1CE5
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BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE
分子名称: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
著者Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T.
登録日1999-03-16
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Proteins, 37, 1999
8U1E
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Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Sharma, S, Mehlman, S.T, Keedy, D.A.
登録日2023-08-31
公開日2023-09-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献High-resolution double vision of the allosteric phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 80, 2024

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件を2024-07-17に公開中

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