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6ZTR
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BU of 6ztr by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324)
分子名称: CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ...
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
3LN4
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BU of 3ln4 by Molmil
Crystal structure of HLA-B*4103 in complex with a 16mer self-peptide derived from heterogeneous nuclear ribonucleoproteins C1/C2
分子名称: 16-mer peptide from Heterogeneous nuclear ribonucleoproteins C1/C2, ACETATE ION, Beta-2-microglobulin, ...
著者Theodossis, A, Gras, S, Rossjohn, J.
登録日2010-02-01
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
5VRN
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BU of 5vrn by Molmil
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J, Edwards, T.E, Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
4BD2
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BU of 4bd2 by Molmil
Bax domain swapped dimer in complex with BidBH3
分子名称: APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-04
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BD6
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BU of 4bd6 by Molmil
Bax domain swapped dimer in complex with BaxBH3
分子名称: APOPTOSIS REGULATOR BAX
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-05
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
5VRM
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BU of 5vrm by Molmil
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J, Edwards, T.E, Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
5DX0
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BU of 5dx0 by Molmil
Crystal structure of CARM1, sinefungin, and H3 peptide (R17)
分子名称: GLYCEROL, H3 peptide, Histone-arginine methyltransferase CARM1, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5DXJ
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BU of 5dxj by Molmil
Crystal structure of CARM1 and sinefungin
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5DWQ
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BU of 5dwq by Molmil
Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17)
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-22
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5DX8
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BU of 5dx8 by Molmil
Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455)
分子名称: Histone-arginine methyltransferase CARM1, SINEFUNGIN, methylated PABP1 peptide
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
6J2A
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BU of 6j2a by Molmil
The structure of HLA-A*3003/NP44
分子名称: Beta-2-microglobulin, HLA-A*3003, NP44
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日2018-12-31
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
分子名称: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日2018-12-29
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
4BD8
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BU of 4bd8 by Molmil
Bax domain swapped dimer induced by BimBH3 with CHAPS
分子名称: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-05
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BD7
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BU of 4bd7 by Molmil
Bax domain swapped dimer induced by octylmaltoside
分子名称: APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-05
公開日2013-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
3LN5
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BU of 3ln5 by Molmil
Crystal structure of HLA-B*4104 in complex with a 11mer self-peptide derived from S-methyl-5-thioadenosine phosphorylase
分子名称: 11-mer peptide from S-methyl-5'-thioadenosine phosphorylase, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Gras, S, Rossjohn, J.
登録日2010-02-02
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The impact of human leukocyte antigen (HLA) micropolymorphism on ligand specificity within the HLA-B*41 allotypic family
Haematologica, 96, 2011
1W33
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BU of 1w33 by Molmil
BbCRASP-1 from Borrelia Burgdorferi
分子名称: BBCRASP-1, GLYCEROL
著者Cordes, F.S, Roversi, P, Goodstadt, L, Ponting, C, Kraiczy, P, Skerka, C, Kirschfink, M, Simon, M.M, Brade, V, Zipfel, P, Wallich, R, Lea, S.M.
登録日2004-07-13
公開日2005-02-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Novel Fold for the Factor H-Binding Protein Bbcrasp-1 of Borrelia Burgdorferi
Nat.Struct.Mol.Biol., 12, 2005
4E44
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BU of 4e44 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer
分子名称: Centromere protein S, Centromere protein X
著者Fox III, D, Zhao, Y, Yang, W, Weidong, W.
登録日2012-03-12
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Dimos, N, Leppkes, J, Koksch, B, Loll, B.
登録日2021-08-16
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
1WCO
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BU of 1wco by Molmil
The solution structure of the nisin-lipid II complex
分子名称: (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-FGA-LYS-DAL-DAL PEPTIDE, ...
著者Hsu, S.-T.D, Breukink, E, Tischenko, E, Lutters, M.A.G, de Kruijff, B, Kaptein, R, Bonvin, A.M.J.J, van Nuland, N.A.J.
登録日2004-11-19
公開日2005-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics.
Nat. Struct. Mol. Biol., 11, 2004
1O0H
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BU of 1o0h by Molmil
Ribonuclease A in complex with 5'-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ribonuclease pancreatic
著者Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M.
登録日2003-02-21
公開日2003-12-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors
PROTEIN SCI., 12, 2003
1O63
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BU of 1o63 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
分子名称: ATP phosphoribosyltransferase
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6C
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BU of 1o6c by Molmil
Crystal structure of UDP-N-acetylglucosamine 2-epimerase
分子名称: UDP-N-acetylglucosamine 2-epimerase
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
4E45
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BU of 4e45 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM
分子名称: Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ...
著者Fox III, D, Zhao, Y, Yang, W, Weidong, W.
登録日2012-03-12
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
分子名称: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010

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