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5FGC
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BU of 5fgc by Molmil
Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.8
分子名称: Anti-HCV E2 Fab HC33.8 heavy chain, Anti-HCV E2 Fab HC33.8 light chain, Genome polyprotein
著者Girard-Blanc, C, Rey, F.A, Krey, T.
登録日2015-12-20
公開日2016-01-20
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antibody Response to Hypervariable Region 1 Interferes with Broadly Neutralizing Antibodies to Hepatitis C Virus.
J.Virol., 90, 2016
8AZG
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BU of 8azg by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell shape-determining protein MreB, GLYCEROL
著者Li de la Sierra-Gallay, I, Mao, W.
登録日2022-09-06
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
2JIC
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BU of 2jic by Molmil
High resolution structure of xylanase-II from one micron beam experiment
分子名称: XYLANASE-II
著者Moukhametzianov, R, Burghammer, M, Edwards, P.C, Petitdemange, S, Popov, D, Fransen, M, Schertler, G.F, Riekel, C.
登録日2007-02-27
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein Crystallography with a Micrometre-Sized Synchrotron-Radiation Beam.
Acta Crystallogr.,Sect.D, 64, 2008
5GLA
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BU of 5gla by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 residues insertion in omega-loop
分子名称: Beta-lactamase
著者Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
登録日2016-07-10
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
5GL9
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BU of 5gl9 by Molmil
Crystal structure of the class A beta-lactamase PenL
分子名称: Beta-lactamase, GLYCEROL
著者Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
登録日2016-07-10
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
5FGB
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BU of 5fgb by Molmil
Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.4
分子名称: Anti-HCV E2 Fab HC84-1 heavy chain, Anti-HCV E2 Fab HC84-1 light chain, GLYCEROL, ...
著者Girard-Blanc, C, Rey, F.A, Krey, T.
登録日2015-12-20
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Antibody Response to Hypervariable Region 1 Interferes with Broadly Neutralizing Antibodies to Hepatitis C Virus.
J.Virol., 90, 2016
5FDF
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BU of 5fdf by Molmil
Crystal structure of the monoclinic form of Thermotoga maritima Acetyl Esterase TM0077 (apo structure) at 1.76 Angstrom resolution
分子名称: ACETATE ION, CHLORIDE ION, Cephalosporin-C deacetylase
著者Manoj, N, Singh, M.K.
登録日2015-12-16
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An extended loop in CE7 carbohydrate esterase family is dispensable for oligomerization but required for activity and thermostability.
J.Struct.Biol., 194, 2016
2HDU
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BU of 2hdu by Molmil
AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
分子名称: 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
8E5Q
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BU of 8e5q by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 Complex
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol
著者Taylor, A.B, Alwan, S.N.
登録日2022-08-22
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
8E5R
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BU of 8e5r by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 Complex
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol
著者Taylor, A.B, Alwan, S.N.
登録日2022-08-22
公開日2023-07-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
2HDQ
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BU of 2hdq by Molmil
AmpC beta-lactamase in complex with 2-carboxythiophene
分子名称: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2IIV
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BU of 2iiv by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Biftu, T.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
8DOT
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BU of 8dot by Molmil
Structure of a methane clathrate binding protein
分子名称: TETRAETHYLENE GLYCOL, methane clathrate binding protein
著者Huard, D.J.E, Lieberman, R.L, Glass, J.B.
登録日2022-07-14
公開日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular basis for inhibition of methane clathrate growth by a deep subsurface bacterial protein.
Pnas Nexus, 2, 2023
2IOH
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BU of 2ioh by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E.
登録日2006-10-10
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
5EFD
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BU of 5efd by Molmil
Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: 1,2-ETHANEDIOL, Beta-xylanase, CHLORIDE ION, ...
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2015-10-23
公開日2016-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.674 Å)
主引用文献Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches.
J.Chem.Inf.Model., 2021
2KMS
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BU of 2kms by Molmil
Combined high- and low-resolution techniques reveal compact structure in central portion of factor H despite long inter-modular linkers
分子名称: Complement factor H
著者Schmidt, C.Q, Herbert, A.P, Guariento, M, Mertens, H.D.T, Soares, D.C, Uhrin, D, Rowe, A.J, Svergun, D.I, Barlow, P.N.
登録日2009-08-04
公開日2009-11-03
最終更新日2020-02-26
実験手法SOLUTION NMR
主引用文献The Central Portion of Factor H (Modules 10-15) Is Compact and Contains a Structurally Deviant CCP Module
J.Mol.Biol., 395, 2010
8F01
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BU of 8f01 by Molmil
Thaumatin Anomalous Dataset at 293 K and 7.1 keV
分子名称: L(+)-TARTARIC ACID, POTASSIUM ION, Thaumatin I
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
5GLB
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BU of 5glb by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA
分子名称: Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
登録日2016-07-10
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
2KDQ
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BU of 2kdq by Molmil
Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimic of Tat protein
分子名称: HIV-1 TAR RNA, L-22 CYCLIC PEPTIDE
著者Davidson, A, Leeper, T.C, Varani, G.
登録日2009-01-14
公開日2009-06-23
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimics of Tat protein
Proc.Natl.Acad.Sci.USA, 106, 2009
8F03
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BU of 8f03 by Molmil
Thaumatin Anomalous Dataset at 293 K and 12 keV
分子名称: L(+)-TARTARIC ACID, POTASSIUM ION, Thaumatin I
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
2I0Q
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BU of 2i0q by Molmil
Crystal structure of a telomere single-strand DNA-protein complex from O. nova with full-length alpha and beta telomere proteins
分子名称: 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', CHLORIDE ION, ...
著者Horvath, M.P, Buczek, P.
登録日2006-08-11
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural reorganization and the cooperative binding of single-stranded telomere DNA in Sterkiella nova.
J.Biol.Chem., 281, 2006
8CYK
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BU of 8cyk by Molmil
Crystal structure of hallucinated protein HALC1_878
分子名称: HALC1_878
著者Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
登録日2022-05-23
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
2HJ3
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BU of 2hj3 by Molmil
Structure of the Arabidopsis Thaliana Erv1 Thiol Oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Sulfhydryl oxidase Erv1p
著者Vitu, E, Fass, D.
登録日2006-06-30
公開日2006-08-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gain of Function in an ERV/ALR Sulfhydryl Oxidase by Molecular Engineering of the Shuttle Disulfide.
J.Mol.Biol., 362, 2006
3RMC
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BU of 3rmc by Molmil
Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol
分子名称: DNA (5'-D(*CP*GP*TP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase
著者Aller, P, Duclos, S, Wallace, S.S, Doublie, S.
登録日2011-04-20
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
5E5L
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BU of 5e5l by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
分子名称: L,D-transpeptidase 1
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-10-08
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017

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