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7C23
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BU of 7c23 by Molmil
Crystal structure of CrmE10, a SGNH-hydrolase family esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
6J9D
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BU of 6j9d by Molmil
Babesia microti lactate dehydrogenase R99A (BmLDHR99A)
Descriptor: L-lactate dehydrogenase
Authors:Yu, L.
Deposit date:2019-01-22
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
5AYW
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BU of 5ayw by Molmil
Structure of a membrane complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Huang, Y, Han, L, Zheng, J.
Deposit date:2015-09-14
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.555 Å)
Cite:Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins
Nat.Struct.Mol.Biol., 23, 2016
5Y82
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BU of 5y82 by Molmil
Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
2WEI
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BU of 2wei by Molmil
Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1
Descriptor: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE
Authors:Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R.
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
Descriptor: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2013-03-06
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5BNQ
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BU of 5bnq by Molmil
Crystal structure of hRANKL-mRANK complex
Descriptor: CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Ren, J.
Deposit date:2015-05-26
Release date:2015-10-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis.
Sci Rep, 5, 2015
3M2K
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BU of 3m2k by Molmil
Crystal Structure of fluorescein-labeled Class A -beta lactamase PenP in complex with cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Zhao, Y.X, Leung, Y.C, Wong, W.T.
Deposit date:2010-03-07
Release date:2011-03-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural studies of the mechanism for biosensing antibiotics in a fluorescein-labeled beta-lactamase.
BMC Struct. Biol., 11, 2011
7BJ6
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BU of 7bj6 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-14
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIT
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BU of 7bit by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BJ0
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BU of 7bj0 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BMG
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BU of 7bmg by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-20
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7XRB
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BU of 7xrb by Molmil
human STK19 dimer
Descriptor: CHLORIDE ION, Isoform 2 of Serine/threonine-protein kinase 19, SULFATE ION
Authors:Sun, Q, Li, Y.
Deposit date:2022-05-10
Release date:2023-06-07
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:STK19 is a DNA/RNA-binding protein critical for DNA damage repair and cell proliferation.
J.Cell Biol., 223, 2024
7BIV
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BU of 7biv by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIR
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BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
8IPT
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BU of 8ipt by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the occluded ATP bound state
Descriptor: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPR
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BU of 8ipr by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the outward facing ATP bound state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, MAGNESIUM ION, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPS
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BU of 8ips by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the inward facing heme loading state
Descriptor: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPQ
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BU of 8ipq by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the inward facing apo state
Descriptor: Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, Transmembrane ATP-binding protein ABC transporter cydD
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
Descriptor: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
Authors:Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
Deposit date:2014-08-22
Release date:2016-02-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
4DJG
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BU of 4djg by Molmil
Crystal structure of the coiled-coil 1 domain of actin-binding protein SCAB1
Descriptor: Plectin-related protein
Authors:Zhang, W, Ye, K.
Deposit date:2012-02-01
Release date:2012-02-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Plant actin-binding protein SCAB1 is dimeric actin cross-linker with atypical pleckstrin homology domain
J.Biol.Chem., 287, 2012
6ZH9
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BU of 6zh9 by Molmil
Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
Descriptor: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
Authors:Naismith, J.H, Mikolajek, H, Le Bas, A.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020

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數據於2025-07-23公開中

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