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5FHG
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BU of 5fhg by Molmil
Structure of unliganded Pif1 from Bacteroides sp
Descriptor: Uncharacterized protein
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
8IND
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BU of 8ind by Molmil
Crystal structure of UGT74AN3-UDP-RES
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, ...
Authors:Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INV
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BU of 8inv by Molmil
Crystal structure of UGT74AN3-UDP-BUF
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Long, F, Huang, W.
Deposit date:2023-03-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
5FL1
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BU of 5fl1 by Molmil
Structure of a hydrolase with an inhibitor
Descriptor: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
Deposit date:2015-10-20
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
8INA
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BU of 8ina by Molmil
Crystal structure of UGT74AN3-UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Long, F, Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8INO
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BU of 8ino by Molmil
Crystal structure of UGT74AN3 in complex UDP and PER
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Glycosyltransferase, ...
Authors:Long, F, Huang, W.
Deposit date:2023-03-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
5FHD
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BU of 5fhd by Molmil
Structure of Bacteroides sp Pif1 complexed with tailed dsDNA resulting in ssDNA bound complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*CP*CP*GP*GP*GP*GP*CP*CP*GP*CP*GP*C)-3'), MAGNESIUM ION, ...
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5H48
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BU of 5h48 by Molmil
Crystal structure of Cbln1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
Authors:Zhong, C, Shen, J, Zhang, H, Ding, J.
Deposit date:2016-10-31
Release date:2017-09-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5H4C
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BU of 5h4c by Molmil
Crystal structure of Cbln4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Cbln4
Authors:Zhong, C, Shen, J, Zhang, H, Ding, J.
Deposit date:2016-10-31
Release date:2017-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5GPO
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BU of 5gpo by Molmil
The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa
Descriptor: SULFATE ION, Sensor protein CzcS, ZINC ION
Authors:Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H.
Deposit date:2016-08-03
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa
PLoS Pathog., 13, 2017
5H49
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BU of 5h49 by Molmil
Crystal structure of Cbln1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
Authors:Zhong, C, Shen, J, Zhang, H, Ding, J.
Deposit date:2016-10-31
Release date:2017-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5FL0
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BU of 5fl0 by Molmil
Structure of a hydrolase with an inhibitor
Descriptor: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
Deposit date:2015-10-20
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5GXU
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BU of 5gxu by Molmil
Cystal structure of Arabidopsis ATR2
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase 2
Authors:Niu, G, Liu, L.
Deposit date:2016-09-20
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Arabidopsis thaliana NADPH-cytochrome P450 reductase 2 (ATR2) provides insight into its function
FEBS J., 284, 2017
3VGX
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BU of 3vgx by Molmil
Structure of gp41 T21/Cp621-652
Descriptor: ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL
Authors:Yao, X, Waltersperger, S, Wang, M, Cui, S.
Deposit date:2011-08-22
Release date:2012-04-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652.
J.Biol.Chem., 287, 2012
3VH7
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BU of 3vh7 by Molmil
Structure of HIV-1 gp41 NHR/fusion inhibitor complex P21
Descriptor: CP32M, Envelope glycoprotein gp160, MAGNESIUM ION
Authors:Yao, X, Waltersperger, S, Wang, M.T, Cui, S.
Deposit date:2011-08-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.019 Å)
Cite:Structural basis of potent and broad HIV-1 fusion inhibitor CP32M
J.Biol.Chem., 287, 2012
3VTP
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BU of 3vtp by Molmil
HIV fusion inhibitor MT-C34
Descriptor: Transmembrane protein gp41
Authors:Yao, X, Waltersperger, S, Wang, M, Cui, S.
Deposit date:2012-06-02
Release date:2012-08-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
3VGY
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BU of 3vgy by Molmil
Structure of HIV-1 gp41 NHR/fusion inhibitor complex P321
Descriptor: CP32M, Envelope glycoprotein gp160, SULFATE ION
Authors:Yao, X, Waltersperger, S, Wang, M.T, Cui, S.
Deposit date:2011-08-22
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.034 Å)
Cite:Structural basis of potent and broad HIV-1 fusion inhibitor CP32M
J.Biol.Chem., 287, 2012
2IJM
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BU of 2ijm by Molmil
Crystal Structure of Focal Adhesion Kinase Domain with 2 molecules in the Asymmetric Unit Complexed with ADP and ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Focal Adhesion Kinase 1
Authors:Lee, C.C.
Deposit date:2006-09-29
Release date:2007-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Crystal Structure of Focal Adhesion Kinase Catalytic Domain Complexed with ATP and Novel 7H-Pyrrolo [2,3-d] pyrimidine Inhibitor Scaffolds
To be Published
6JCS
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BU of 6jcs by Molmil
AAV5 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-08-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6JCR
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BU of 6jcr by Molmil
AAV1 in neutral condition at 3.07 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6JCQ
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BU of 6jcq by Molmil
AAV1 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6JCT
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BU of 6jct by Molmil
AAV5 in neutral condition at 3.18 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-07-31
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
9H8C
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BU of 9h8c by Molmil
Human CDK8/Cyclin-C complex with inhibitor 2-9
Descriptor: 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ...
Authors:Somers, D.O.
Deposit date:2024-10-29
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (2.573 Å)
Cite:Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
8GCG
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BU of 8gcg by Molmil
MDM2 bound to inhibitor
Descriptor: E3 ubiquitin-protein ligase Mdm2, macrocyclic peptide inhibitor
Authors:Silvestri, A.P, Muir, E.W, Chakka, S.K, Tripathi, S.M, Rubin, S.M, Pye, C.R, Schwochert, J.A.
Deposit date:2023-03-01
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:DNA-Encoded Macrocyclic Peptide Libraries Enable the Discovery of a Neutral MDM2-p53 Inhibitor.
Acs Med.Chem.Lett., 14, 2023

239149

数据于2025-07-23公开中

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