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7ZV5
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BU of 7zv5 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor TRIP5
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
8JUH
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BU of 8juh by Molmil
Crystal structure of ScFv against the receptor binding domine of SARS-CoV-2 S-spike protein
Descriptor: Single chain fab antibody
Authors:Ma, Q.Q, Su, Z.D.
Deposit date:2023-06-26
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of ScFv against the receptor binding domine of SARS-CoV-2 S-spike protein
To Be Published
3OGP
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BU of 3ogp by Molmil
Crystal Structure of 6s-98S FIV Protease with Darunavir bound
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, DIMETHYL SULFOXIDE, FIV Protease
Authors:Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D.
Deposit date:2010-08-17
Release date:2011-06-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
3OJL
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BU of 3ojl by Molmil
Native structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from Staphylococcus aureus
Descriptor: Cap5O, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S, Grangeasse, C, Fleurie, A.
Deposit date:2010-08-23
Release date:2011-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis.
J.Biol.Chem., 286, 2011
6GVM
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BU of 6gvm by Molmil
Tubulin:F3II DARPin complex
Descriptor: F3II DARPIN, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V, Cantos Fernandes, S.
Deposit date:2018-06-21
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Insight into microtubule nucleation from tubulin-capping proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
2PHH
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BU of 2phh by Molmil
THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
Deposit date:1989-06-19
Release date:1990-10-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The coenzyme analogue adenosine 5-diphosphoribose displaces FAD in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation.
Biochemistry, 28, 1989
8D6J
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BU of 8d6j by Molmil
Human Ago2 bound to miR122(21nt) with PIWI loop swapped to AtAgo10 sequence
Descriptor: MAGNESIUM ION, Protein argonaute-2, 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:Xiao, Y, MacRae, I.
Deposit date:2022-06-06
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A tiny loop in the Argonaute PIWI domain tunes small RNA seed strength.
Embo Rep., 24, 2023
3JYP
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BU of 3jyp by Molmil
Quinate dehydrogenase from Corynebacterium glutamicum in complex with quinate and NADH
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Quinate/shikimate dehydrogenase
Authors:Hoeppner, A, Schomburg, D, Niefind, K.
Deposit date:2009-09-22
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Enzyme-substrate complexes of the quinate/shikimate dehydrogenase from Corynebacterium glutamicum enable new insights in substrate and cofactor binding, specificity, and discrimination.
Biol.Chem., 394, 2013
3OIQ
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BU of 3oiq by Molmil
Crystal structure of yeast telomere protein Cdc13 OB1 and the catalytic subunit of DNA polymerase alpha Pol1
Descriptor: Cell division control protein 13, DNA polymerase alpha catalytic subunit A
Authors:Sun, J, Yang, Y, Wan, K, Mao, N, Yu, T.Y, Lin, Y.C, DeZwaan, D.C, Freeman, B.C, Lin, J.J, Lue, N.F, Lei, M.
Deposit date:2010-08-19
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural bases of dimerization of yeast telomere protein Cdc13 and its interaction with the catalytic subunit of DNA polymerase alpha.
Cell Res., 21, 2011
4LAD
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BU of 4lad by Molmil
Crystal Structure of the Ube2g2:RING-G2BR complex
Descriptor: E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ...
Authors:Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X.
Deposit date:2013-06-19
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
8KGZ
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BU of 8kgz by Molmil
Crystal structure of single-chain Fv antibody against antigen peptide from SARS-CoV2 S-spike protein
Descriptor: Thioredoxin 1,scFv
Authors:Ma, Q.Q, Zhang, B.L, Cheng, X.Y, Huang, Y.Q, Su, Z.D.
Deposit date:2023-08-20
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of sheep scFv antibody against an antigen peptide of SARS-CoV2 S-spike protein
To Be Published
8D71
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BU of 8d71 by Molmil
Human Ago2 bound to miR122(21nt)
Descriptor: MAGNESIUM ION, Protein argonaute-2, miR-122-21nt
Authors:Xiao, Y, MacRae, I.
Deposit date:2022-06-07
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A tiny loop in the Argonaute PIWI domain tunes small RNA seed strength.
Embo Rep., 24, 2023
3K47
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BU of 3k47 by Molmil
Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Descriptor: 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Pace, J, Queener, S.F, Gangjee, A.
Deposit date:2009-10-05
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2015-11-26
Release date:2016-10-05
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
8DA3
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BU of 8da3 by Molmil
Coevolved affibody-Z domain pair LL1.c1
Descriptor: Affibody LL1.FILF, Immunoglobulin G-binding protein A, MALONATE ION, ...
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA9
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BU of 8da9 by Molmil
Coevolved affibody-Z domain pair LL2.c3
Descriptor: Affibody LL2.FIIV, GLYCEROL, Immunoglobulin G-binding protein A, ...
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA4
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BU of 8da4 by Molmil
Coevolved affibody-Z domain pair LL1.c2
Descriptor: Affibody LL1.FIVM, Immunoglobulin G-binding protein A, SULFATE ION, ...
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA6
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BU of 8da6 by Molmil
Coevolved affibody-Z domain pair LL1.c5
Descriptor: Affibody LL1.FIIM, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA5
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BU of 8da5 by Molmil
Coevolved affibody-Z domain pair LL1.c4
Descriptor: GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA7
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BU of 8da7 by Molmil
Coevolved affibody-Z domain pair LL1.c6
Descriptor: Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA8
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BU of 8da8 by Molmil
Coevolved affibody-Z domain pair LL2.c1
Descriptor: Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DAC
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BU of 8dac by Molmil
Coevolved affibody-Z domain pair LL2.c22
Descriptor: Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DAB
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BU of 8dab by Molmil
Coevolved affibody-Z domain pair LL2.c17
Descriptor: Affibody LL2.IVVY, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.134 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DAA
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BU of 8daa by Molmil
Coevolved affibody-Z domain pair LL2.c7
Descriptor: Affibody LL2.FIVK, Immunoglobulin G-binding protein A, MALONATE ION
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
5DDM
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BU of 5ddm by Molmil
Human DNA polymerase lambda- Apoenzyme and complex with 6 paired DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), DNA polymerase lambda, ...
Authors:Liu, M.S, Tsai, M.D.
Deposit date:2015-08-25
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016

223790

数据于2024-08-14公开中

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