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7FE0
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BU of 7fe0 by Molmil
AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis
Descriptor: AvmM, CACODYLATE ION, CHLORIDE ION, ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-07-19
Release date:2021-09-01
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AvmM catalyses macrocyclization through dehydration/Michael-type addition in alchivemycin A biosynthesis.
Nat Commun, 13, 2022
4S1R
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BU of 4s1r by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1Q
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BU of 4s1q by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H03+06.D-001739 heavy chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1S
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BU of 4s1s by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab of VRC01 light chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4UUQ
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BU of 4uuq by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR127303
Descriptor: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
Authors:Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
5MK5
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BU of 5mk5 by Molmil
Structures of DHBN domain of human BLM helicase
Descriptor: Bloom syndrome protein, IODIDE ION, POTASSIUM ION
Authors:Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G.
Deposit date:2016-12-02
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
Authors:Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-04-08
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
Deposit date:2020-03-26
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
6PET
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BU of 6pet by Molmil
Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha
Descriptor: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ...
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W.
Deposit date:2019-06-20
Release date:2019-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
6PFM
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BU of 6pfm by Molmil
Crystal structure of GDC-0927 bound to estrogen receptor alpha
Descriptor: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D.
Deposit date:2019-06-21
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
1HX8
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BU of 1hx8 by Molmil
CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF DROSOPHILA AP180
Descriptor: SULFATE ION, SYNAPSE-ENRICHED CLATHRIN ADAPTOR PROTEIN LAP
Authors:Mao, Y, Chen, J, Maynard, J.A, Zhang, B, Quiocho, F.A.
Deposit date:2001-01-12
Release date:2001-02-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel all helix fold of the AP180 amino-terminal domain for phosphoinositide binding and clathrin assembly in synaptic vesicle endocytosis.
Cell(Cambridge,Mass.), 104, 2001
8XOV
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BU of 8xov by Molmil
The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-01-02
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
To Be Published
8XPG
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BU of 8xpg by Molmil
The Crystal Structure of polo box domain of Plk4 from Biortus.
Descriptor: SULFATE ION, Serine/threonine-protein kinase PLK4
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-01-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of polo box domain of Plk4 from Biortus.
To Be Published
8XEY
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BU of 8xey by Molmil
The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2023-12-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
To Be Published
8XB9
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BU of 8xb9 by Molmil
The Crystal Structure of polo-box domain of PLK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1
Authors:Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B.
Deposit date:2023-12-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of polo-box domain of PLK1 from Biortus
To Be Published
8YGX
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BU of 8ygx by Molmil
Structure of the PYK2 from Biortus.
Descriptor: Protein-tyrosine kinase 2-beta
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-02-27
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the PYK2 from Biortus.
To Be Published
8YHV
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BU of 8yhv by Molmil
Structure of the VP40 from Biortus.
Descriptor: Matrix protein VP40
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-02-28
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the VP40 from Biortus.
To Be Published
5Z9Y
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BU of 5z9y by Molmil
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase
Authors:Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y.
Deposit date:2018-02-05
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
4H5S
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BU of 4h5s by Molmil
Complex structure of Necl-2 and CRTAM
Descriptor: Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule
Authors:Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F.
Deposit date:2012-09-18
Release date:2013-08-07
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013
6WOK
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BU of 6wok by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
Descriptor: (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S.
Deposit date:2020-04-24
Release date:2020-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.309 Å)
Cite:Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020
6XVH
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BU of 6xvh by Molmil
carbonic anhydrase with bound arylsulfonamide- boronic acid
Descriptor: (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION
Authors:Perez, C, Zhang, B.
Deposit date:2020-01-22
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An easy to assemble, fully modulable, selectiv and colorimetric artificial bio-sensor for fingerprintting the recognition of neurotransmitters
To Be Published
4KR0
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BU of 4kr0 by Molmil
Complex structure of MERS-CoV spike RBD bound to CD26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2013-05-15
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013

220472

数据于2024-05-29公开中

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