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3I2I
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BU of 3i2i by Molmil
Cocaine Esterase with mutation T172R, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
5SLY
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BU of 5sly by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1526504764
分子名称: 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.018 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1UKI
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BU of 1uki by Molmil
Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
分子名称: 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, mitogen-activated protein kinase 8 isoform 4
著者Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H.
登録日2003-08-23
公開日2004-08-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Embo J., 23, 2004
1E06
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BU of 1e06 by Molmil
Porcine Odorant Binding Protein Complexed with 5-methyl-2-(1-methylethyl)phenol
分子名称: 5-METHYL-2-(1-METHYLETHYL)PHENOL, ODORANT-BINDING PROTEIN
著者Vincent, F, Spinelli, S, Cambillau, C, Tegoni, M.
登録日2000-03-10
公開日2000-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Complexes of Porcine Odorant Binding Protein with Odorant Molecules Belonging to Different Chemical Classes
J.Mol.Biol., 300, 2000
1PAZ
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BU of 1paz by Molmil
REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS RESOLUTION
分子名称: COPPER (II) ION, PSEUDOAZURIN PRECURSOR
著者Petratos, K, Dauter, Z, Wilson, K.S.
登録日1988-06-28
公開日1988-10-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Refinement of the structure of pseudoazurin from Alcaligenes faecalis S-6 at 1.55 A resolution.
Acta Crystallogr.,Sect.B, 44, 1988
1ZR0
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BU of 1zr0 by Molmil
Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin
分子名称: CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2
著者Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P.
登録日2005-05-18
公開日2005-06-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition
J.Biol.Chem., 280, 2005
5SMB
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BU of 5smb by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z419995480
分子名称: 1-(morpholin-4-yl)-4-phenylbutan-1-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.181 Å)
主引用文献PanDDA analysis group deposition
To Be Published
3QVC
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BU of 3qvc by Molmil
Crystal structure of histo-aspartic protease (HAP) zymogen from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, Histo-aspartic protease
著者Bhaumik, P, Gustchina, A, Wlodawer, A.
登録日2011-02-25
公開日2011-10-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
5SLU
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BU of 5slu by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543
分子名称: 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献PanDDA analysis group deposition
To Be Published
3QWM
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BU of 3qwm by Molmil
Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
分子名称: IQ motif and SEC7 domain-containing protein 1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Feller, S, Janning, M, Sabe, H, Krojer, T, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-02-28
公開日2011-04-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
to be published
2HRP
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BU of 2hrp by Molmil
ANTIGEN-ANTIBODY COMPLEX
分子名称: HIV-1 PROTEASE PEPTIDE, MONOCLONAL ANTIBODY F11.2.32
著者Lescar, J, Bentley, G.A.
登録日1996-12-27
公開日1997-12-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of an Fab-peptide complex: structural basis of HIV-1 protease inhibition by a monoclonal antibody.
J.Mol.Biol., 267, 1997
4KGA
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BU of 4kga by Molmil
Crystal structure of kallikrein-related peptidase 4
分子名称: 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-29
公開日2014-04-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
3JTX
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BU of 3jtx by Molmil
Crystal structure of Aminotransferase (NP_283882.1) from NEISSERIA MENINGITIDIS Z2491 at 1.91 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-09-14
公開日2009-09-22
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of Aminotransferase (NP_283882.1) from NEISSERIA MENINGITIDIS Z2491 at 1.91 A resolution
To be published
1R7A
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BU of 1r7a by Molmil
Sucrose Phosphorylase from Bifidobacterium adolescentis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, sucrose phosphorylase
著者Sprogoe, D, van den Broek, L.A.M, Mirza, O, Kastrup, J.S, Voragen, A.G.J, Gajhede, M, Skov, L.K.
登録日2003-10-21
公開日2004-02-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of sucrose phosphorylase from Bifidobacterium adolescentis.
Biochemistry, 43, 2004
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
分子名称: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
著者Orth, P.
登録日2009-09-23
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2HPS
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BU of 2hps by Molmil
Crystal structure of coelenterazine-binding protein from Renilla Muelleri
分子名称: C2-HYDROXY-COELENTERAZINE, GLYCEROL, coelenterazine-binding protein with bound coelenterazine
著者Stepanyuk, G, Liu, Z.J, Vysotski, E.S, Lee, J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-07-17
公開日2007-01-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of coelenterazine-binding protein from Renilla muelleri at 1.7 A: why it is not a calcium-regulated photoprotein.
PHOTOCHEM.PHOTOBIOL.SCI., 7, 2008
5SQ1
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BU of 5sq1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001601221314 - (S) isomer
分子名称: 1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4G1H
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BU of 4g1h by Molmil
Group B Streptococcus Pilus Island 1 Sortase C2
分子名称: CALCIUM ION, Sortase family protein
著者Cozzi, R, Prigozhin, D.M, Alber, T.
登録日2012-07-10
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for group B streptococcus pilus 1 sortases C regulation and specificity.
Plos One, 7, 2012
3K50
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BU of 3k50 by Molmil
Crystal structure of Putative S41 protease (YP_211611.1) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
分子名称: CHLORIDE ION, GLYCEROL, Putative S41 protease
著者Joint Center for Structural Genomics (JCSG)
登録日2009-10-06
公開日2009-10-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Putative S41 protease (YP_211611.1) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
To be published
2A2N
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BU of 2a2n by Molmil
Crystal Structure of the peptidylprolyl isomerase domain of Human PPWD1
分子名称: GLYCEROL, peptidylprolyl isomerase domain and WD repeat containing 1
著者Walker, J.R, Davis, T.L, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-06-22
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human WD40 repeat-containing peptidylprolyl isomerase (PPWD1).
Febs J., 275, 2008
4IC0
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BU of 4ic0 by Molmil
Crystal Structure of PAI-1 in Complex with Gallate
分子名称: 3,4,5-trihydroxybenzoic acid, Plasminogen activator inhibitor 1
著者Hong, Z.B, Lin, Z.H, Gong, L.H, Huang, M.D.
登録日2012-12-09
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal Structure of PAI-1 in Complex with Gallate
To be Published
1DBU
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BU of 1dbu by Molmil
Crystal structure of cysteinyl-tRNA(Pro) deacylase protein from H. influenzae (HI1434)
分子名称: MERCURY (II) ION, cysteinyl-tRNA(Pro) deacylase
著者Zhang, H, Huang, K, Li, Z, Herzberg, O, Structure 2 Function Project (S2F)
登録日1999-11-03
公開日2000-06-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of YbaK protein from Haemophilus influenzae (HI1434) at 1.8 A resolution: functional implications.
Proteins, 40, 2000
2A0Y
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BU of 2a0y by Molmil
Structure of human purine nucleoside phosphorylase H257D mutant
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
著者Murkin, A.S, Shi, W, Schramm, V.L.
登録日2005-06-17
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
1HSA
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BU of 1hsa by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-B*2705), MODEL PEPTIDE SEQUENCE - ARAAAAAAA
著者Madden, D.R, Gorga, J.C, Strominger, J.L, Wiley, D.C.
登録日1992-08-11
公開日1992-10-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The three-dimensional structure of HLA-B27 at 2.1 A resolution suggests a general mechanism for tight peptide binding to MHC.
Cell(Cambridge,Mass.), 70, 1992
4IJQ
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BU of 4ijq by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Guddat, L.W, Keough, D.T, Hockova, D.
登録日2012-12-22
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity
J.Med.Chem., 56, 2013

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