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6AXQ
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BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
Authors:Murray, J.M, Jayaram, H.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
7D99
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BU of 7d99 by Molmil
human potassium-chloride co-transporter KCC4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ...
Authors:Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J.
Deposit date:2020-10-12
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
7D90
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BU of 7d90 by Molmil
human potassium-chloride co-transporter KCC3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 3
Authors:Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J.
Deposit date:2020-10-12
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
7D8Z
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BU of 7d8z by Molmil
human potassium-chloride co-transporter KCC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 2
Authors:Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J.
Deposit date:2020-10-11
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
Descriptor: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
Descriptor: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6BN6
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BU of 6bn6 by Molmil
IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS
Descriptor: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION
Authors:Sack, J.
Deposit date:2017-11-16
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
8XOM
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BU of 8xom by Molmil
Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ...
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
8XOL
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BU of 8xol by Molmil
Cryo-EM structure of human ABCC4 with ANP bound in NBD1
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ...
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
7X9G
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BU of 7x9g by Molmil
Crystal structure of human EDA and EDAR
Descriptor: Ectodysplasin-A, secreted form, Tumor necrosis factor receptor superfamily member EDAR
Authors:Yu, K, Wan, F, Huang, C, Wu, J, Lei, M.
Deposit date:2022-03-15
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into pathogenic mechanism of hypohidrotic ectodermal dysplasia caused by ectodysplasin A variants.
Nat Commun, 14, 2023
1I57
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BU of 1i57 by Molmil
CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHO-TYROSINE PHOSPHATASE 1B
Authors:Scapin, G, Patel, S, Patel, V, Kennedy, B, Asante-Appiah, E.
Deposit date:2001-02-26
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S --> O change.
Protein Sci., 10, 2001
3TGU
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BU of 3tgu by Molmil
Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
Authors:Huang, L.-S, Yang, G.-F, Berry, E.A.
Deposit date:2011-08-17
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
J.Am.Chem.Soc., 134, 2012
8GV5
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BU of 8gv5 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV6
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BU of 8gv6 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV7
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BU of 8gv7 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H18 A/flat-faced bat/Peru/033/2010
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H18-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV4
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BU of 8gv4 by Molmil
A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28
Descriptor: PN-SIA28 heavy chain, PN-SIA28 light chain
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GI2
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BU of 8gi2 by Molmil
Cryo-EM structure of Natrinema sp. J7-2 Type IV pilus
Descriptor: Natrinema pilin, Orf10
Authors:Sonani, R.R, Kreutzberger, M.A.B, Liu, Y, Krupovic, M, Egelman, E.H.
Deposit date:2023-03-13
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The evolution of archaeal flagellar filaments.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YTV
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BU of 7ytv by Molmil
Crystal structure of Aspergillus fumigatus Thioredoxin reductase in complex with auranofin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase
Authors:Lin, W.
Deposit date:2022-08-16
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.866 Å)
Cite:In vitro antifungal and antibiofilm activities of auranofin against itraconazole-resistant Aspergillus fumigatus.
J Mycol Med, 33, 2023
8H2T
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BU of 8h2t by Molmil
Cryo-EM structure of IadD/E dioxygenase bound with IAA
Descriptor: 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ...
Authors:Yu, G, Li, Z, Zhang, H.
Deposit date:2022-10-07
Release date:2023-06-14
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax.
Plos Biol., 21, 2023
8HFC
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BU of 8hfc by Molmil
Cryo-EM structure of yeast Erf2/Erf4 complex
Descriptor: PALMITIC ACID, Palmitoyltransferase ERF2, Ras modification protein ERF4, ...
Authors:Wu, J, Hu, Q, Zhang, Y, Yang, A, Liu, S.
Deposit date:2022-11-10
Release date:2023-11-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
8HF3
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BU of 8hf3 by Molmil
Cryo-EM structure of human ZDHHC9/GCP16 complex
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Golgin subfamily A member 7, PALMITIC ACID, ...
Authors:Wu, J, Hu, Q, Zhang, Y, Liu, S, Yang, A.
Deposit date:2022-11-09
Release date:2023-11-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
4CLC
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BU of 4clc by Molmil
Crystal structure of Ybr137w protein
Descriptor: UPF0303 PROTEIN YBR137W
Authors:Yeh, Y.-H, Lin, T.-W, Lin, C.-Y, Hsiao, C.-D.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Characterization of Ybr137Wp Implicate its Involvement in the Targeting of Tail-Anchored Proteins to Membranes.
Mol.Cell.Biol., 34, 2014
6JLQ
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BU of 6jlq by Molmil
Crystal structure of human USP46-WDR48-WDR20 complex
Descriptor: GLYCEROL, PHOSPHATE ION, Ubiquitin carboxyl-terminal hydrolase 46, ...
Authors:Zhu, H, Zhang, T, Ding, J.
Deposit date:2019-03-06
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural insights into the activation of USP46 by WDR48 and WDR20.
Cell Discov, 5, 2019
6KKT
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BU of 6kkt by Molmil
human KCC1 structure determined in KCl and lipid nanodisc
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KJ0
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BU of 6kj0 by Molmil
Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-xylosidase/beta-D-glucosidase, Deacetyltaxol, ...
Authors:Gong, W.M, Yang, L.Y.
Deposit date:2019-07-20
Release date:2020-02-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020

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數據於2024-07-24公開中

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