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8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
Descriptor: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
Deposit date:2023-01-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
8HNC
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BU of 8hnc by Molmil
Cryo-EM structure of human OATP1B1 in complex with bilirubin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
Authors:Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HND
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BU of 8hnd by Molmil
Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1, ...
Authors:Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNB
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BU of 8hnb by Molmil
Cryo-EM structure of human OATP1B1 in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNH
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BU of 8hnh by Molmil
Cryo-EM structure of human OATP1B1 in complex with simeprevir
Descriptor: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA1
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BU of 5ta1 by Molmil
Crystal structure of BuGH86wt
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
Descriptor: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA0
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BU of 5ta0 by Molmil
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T99
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BU of 5t99 by Molmil
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA5
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BU of 5ta5 by Molmil
Crystal structure of BuGH86wt in complex with neoagarooctaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9X
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BU of 5t9x by Molmil
Crystal structure of BuGH16Bwt
Descriptor: Glycoside Hydrolase, IMIDAZOLE, SODIUM ION
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
4LPI
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BU of 4lpi by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a distal hydrogen-bonding network
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
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
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
6N4O
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BU of 6n4o by Molmil
Human Argonaute2-miR-122 bound to a seed and supplementary paired target
Descriptor: Protein argonaute-2, RNA (5'-R(*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-11-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Beyond the seed: structural basis for supplementary microRNA targeting by human Argonaute2.
Embo J., 38, 2019
1SHY
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BU of 1shy by Molmil
The Crystal Structure of HGF beta-chain in Complex with the Sema Domain of the Met Receptor.
Descriptor: Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Stamos, J, Wiesmann, C.
Deposit date:2004-02-26
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal structure of the HGF beta-chain in complex with the Sema domain of the Met receptor.
Embo J., 23, 2004
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
7WE6
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BU of 7we6 by Molmil
Structure of Csy-AcrIF24-dsDNA
Descriptor: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-12-22
Release date:2022-04-20
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
3VBV
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BU of 3vbv by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
2MWA
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BU of 2mwa by Molmil
NMR structure of FBP28 WW2 mutant Y446L
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014

221716

数据于2024-06-26公开中

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