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2FL3
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BU of 2fl3 by Molmil
Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA
分子名称: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease
著者Horton, J.R.
登録日2006-01-05
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006
4X0N
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BU of 4x0n by Molmil
Porcine pancreatic alpha-amylase in complex with helianthamide, a novel proteinaceous inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Williams, L.K, Brayer, G.D.
登録日2014-11-21
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6001 Å)
主引用文献Structural Templating and Guided Refolding of the Potent Naturally Occurring Peptide Helianthamide Within the Active Site of Amylase, a Diabetes and Obesity Therapeutic Target
To Be Published
6M97
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BU of 6m97 by Molmil
Crystal structure of the high-affinity copper transporter Ctr1
分子名称: Chimera protein of High affinity copper uptake protein 1 and Soluble cytochrome b562, HEXATANTALUM DODECABROMIDE, ZINC ION
著者Ren, F, Yuan, P.
登録日2018-08-22
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献X-ray structures of the high-affinity copper transporter Ctr1.
Nat Commun, 10, 2019
1OO3
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BU of 1oo3 by Molmil
P395S mutant of the p85 regulatory subunit of the N-terminal src homology 2 domain of PI3-Kinase
分子名称: Phosphatidylinositol 3-kinase regulatory alpha subunit
著者Guenther, U.L, Weyrauch, B, Schaffhausen, B.
登録日2003-03-03
公開日2003-03-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of the P395S mutant of the N-SH2 domain of the p85 subunit of PI3 kinase: an SH2 domain with altered specificity
Biochemistry, 42, 2003
6M98
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BU of 6m98 by Molmil
Crystal structure of the high-affinity copper transporter Ctr1 in complex with Cu(I)
分子名称: COPPER (I) ION, Chimera protein of High affinity copper uptake protein 1 and Soluble cytochrome b562, ZINC ION
著者Ren, F, Yuan, P.
登録日2018-08-22
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献X-ray structures of the high-affinity copper transporter Ctr1.
Nat Commun, 10, 2019
6B0R
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BU of 6b0r by Molmil
Zinc finger Domain of WT1(-KTS form) with M342R Mutation and 14+1mer Oligonucleotide with 3' Triplet TGG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
4X9J
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BU of 4x9j by Molmil
EGR-1 with Doubly Methylated DNA
分子名称: DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2014-12-11
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.
Febs Lett., 589, 2015
4XIC
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BU of 4xic by Molmil
ANTPHD WITH 15BP di-thioate modified DNA DUPLEX
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2015-01-06
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
1OO4
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BU of 1oo4 by Molmil
P395S mutant of the p85 regulatory subunit of the N-terminal src homology 2 domain of PI3-Kinase complexed to a peptide derived from PDGFr
分子名称: 8-mer peptide from PDGFr, Phosphatidylinositol 3-kinase regulatory alpha subunit
著者Guenther, U.L, Weyrauch, B, Schaffhausen, B.
登録日2003-03-03
公開日2003-03-25
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of the P395S mutant of the N-SH2 domain of the p85 subunit of PI3 kinase: an SH2 domain with altered specificity
Biochemistry, 42, 2003
6JNX
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BU of 6jnx by Molmil
Cryo-EM structure of a Q-engaged arrested complex
分子名称: Antiterminator Q protein, DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
8GQU
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BU of 8gqu by Molmil
AK-42 inhibitor binding human ClC-2 TMD
分子名称: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2
著者Wang, L.
登録日2022-08-30
公開日2023-07-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
4XW2
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BU of 4xw2 by Molmil
Structural basis for simvastatin competitive antagonism of complement receptor 3
分子名称: Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
著者Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R.
登録日2015-01-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
著者Zhu, Q, Wang, G, Xiao, J.
登録日2020-04-24
公開日2020-06-10
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
4QO8
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BU of 4qo8 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
6JNY
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BU of 6jny by Molmil
Crystal structure of bacteriophage 21 Q protein
分子名称: Antiterminator Q protein
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-11-11
公開日2018-01-03
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
2IIT
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BU of 2iit 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-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
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 (2.35 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
3W95
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BU of 3w95 by Molmil
Crystal structure of 2A proteinase (C110A) from enterovirus 71
分子名称: Genome polyprotein, ZINC ION
著者Mu, Z, Gao, X, Cui, S.
登録日2013-03-27
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of 2A Proteinase from Hand, Foot and Mouth Disease Virus
J.Mol.Biol., 425, 2013
4R68
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Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014

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