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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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
8XRP
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BU of 8xrp by Molmil
The Cryo-EM structure of IL-12, receptor subunit beta-1 and receptor subunit beta-2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, Interleukin-12 receptor subunit beta-2, ...
Authors:Chen, H.Q, Wang, X.Q, Ge, X.F, Zeng, J.W, Wang, J.W.
Deposit date:2024-01-07
Release date:2024-07-24
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure and assembly of the human IL-12 signaling complex.
Structure, 2024
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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ...
Authors:Kiss, L, Boland, A, Neuhaus, D, James, L.C.
Deposit date:2019-06-30
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases.
Nat Commun, 10, 2019
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
Descriptor: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
Authors:Chen, P, Jin, R.
Deposit date:2021-04-27
Release date:2021-06-09
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
Descriptor: 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
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
8YI7
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BU of 8yi7 by Molmil
The Cryo-EM structure of IL-12, receptor subunit beta-1 and receptor subunit beta-2 complex, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, Interleukin-12 receptor subunit beta-2, ...
Authors:Chen, H.Q, Ge, X.F.
Deposit date:2024-02-29
Release date:2024-07-24
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structure and assembly of the human IL-12 signaling complex.
Structure, 2024
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
Descriptor: 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, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-16
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 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, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.602 Å)
Cite: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
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 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, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-03
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
Authors:Fiedler, T.J, Fenna, R.E.
Deposit date:1999-10-20
Release date:2001-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1D5L
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BU of 1d5l by Molmil
CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Fiedler, T.J, Davey, C.A, Fenna, R.E.
Deposit date:1999-10-07
Release date:2001-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
1CXP
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BU of 1cxp by Molmil
CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Fiedler, T.J, Fenna, R.E.
Deposit date:1999-08-30
Release date:2000-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
1D2V
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BU of 1d2v by Molmil
CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
Authors:Fiedler, T.J, Davey, C.A, Fenna, R.E.
Deposit date:1999-09-28
Release date:2000-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
Descriptor: Tri-Ketone Dioxygenase
Authors:Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
Deposit date:2022-10-17
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
7VEH
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BU of 7veh by Molmil
Type I-F Anti-CRISPR protein AcrIF13
Descriptor: AcrIF13
Authors:Gao, T, Feng, Y.
Deposit date:2021-09-08
Release date:2022-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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
Descriptor: 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
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-06
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
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
Descriptor: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-07
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
7S0Y
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BU of 7s0y by Molmil
Structures of TcdB in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zheng, L, Rongsheng, J, Peng, C.
Deposit date:2021-08-31
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
Authors:Zheng, L, Rongsheng, J, Peng, C.
Deposit date:2021-08-31
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021

224931

数据于2024-09-11公开中

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