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7WQT
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BU of 7wqt by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (VWF tube)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-26
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
著者Zeng, J.W, Shu, Z.M, Zhou, A.W.
登録日2022-01-24
公開日2022-05-25
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7XTG
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BU of 7xtg by Molmil
Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1
分子名称: Bacteriocin curvacin-A, Mannose permease IIC component, Mannose permease IID component, ...
著者Zeng, J.W, Wang, J.W, Zhu, L.Y.
登録日2022-05-17
公開日2023-06-07
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural Basis of the Immunity Mechanisms of Pediocin-like Bacteriocins.
Appl.Environ.Microbiol., 88, 2022
6K1H
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BU of 6k1h by Molmil
Structure of membrane protein
分子名称: PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose
著者Wang, J.W, Zeng, J.W.
登録日2019-05-10
公開日2019-07-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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BU of 7qjg by Molmil
EED in complex with PRC2 allosteric inhibitor compound 6
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-16
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
5KIQ
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BU of 5kiq by Molmil
SrpA with sialyl LewisX
分子名称: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Iverson, T.M.
登録日2016-06-16
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.638 Å)
主引用文献Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
6S53
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BU of 6s53 by Molmil
Crystal structure of TRIM21 RING domain in complex with an isopeptide-linked Ube2N~ubiquitin conjugate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ...
著者Kiss, L, Boland, A, Neuhaus, D, James, L.C.
登録日2019-06-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases.
Nat Commun, 10, 2019
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
7ML7
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BU of 7ml7 by Molmil
Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
分子名称: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
著者Chen, P, Jin, R.
登録日2021-04-27
公開日2021-06-09
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
1D2V
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BU of 1d2v by Molmil
CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
著者Fiedler, T.J, Davey, C.A, Fenna, R.E.
登録日1999-09-28
公開日2000-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
1D5L
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BU of 1d5l by Molmil
CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Fiedler, T.J, Davey, C.A, Fenna, R.E.
登録日1999-10-07
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1CXP
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BU of 1cxp by Molmil
CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Fiedler, T.J, Fenna, R.E.
登録日1999-08-30
公開日2000-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
分子名称: Tri-Ketone Dioxygenase
著者Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
登録日2022-10-17
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
7S0Y
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BU of 7s0y by Molmil
Structures of TcdB in complex with Cdc42
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
7S0Z
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BU of 7s0z by Molmil
Structures of TcdB in complex with R-Ras
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
1D7W
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BU of 1d7w by Molmil
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
著者Fiedler, T.J, Fenna, R.E.
登録日1999-10-20
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
8JVM
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BU of 8jvm by Molmil
AHS-CSF domains of phage lambda tail
分子名称: Tip attachment protein J
著者Wang, J.
登録日2023-06-28
公開日2023-10-18
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
1NLJ
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BU of 1nlj by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
分子名称: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-07
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
分子名称: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-06
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-03
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020

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