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7LBC
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BU of 7lbc by Molmil
Structure of human GGT1 in complex with Lnt2-65 compound
分子名称: (2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Terzyan, S.S, Hanigan, M.
登録日2021-01-07
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase.
Bioorg.Med.Chem., 73, 2022
3PVL
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BU of 3pvl by Molmil
Structure of myosin VIIa MyTH4-FERM-SH3 in complex with the CEN1 of Sans
分子名称: GLYCEROL, Myosin VIIa isoform 1, PHOSPHATE ION, ...
著者Wu, L, Pan, L.F, Wei, Z.Y, Zhang, M.J.
登録日2010-12-07
公開日2011-03-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of MyTH4-FERM domains in myosin VIIa tail bound to cargo.
Science, 331, 2011
7LD9
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BU of 7ld9 by Molmil
Structure of human GGT1 in complex with ABBA
分子名称: (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Terzyan, S.S, Hanigan, M.
登録日2021-01-12
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase.
Bioorg.Med.Chem., 73, 2022
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
8OK4
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BU of 8ok4 by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
分子名称: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8ONH
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BU of 8onh by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, Foti, K, Gkeka, A, Vlachou, E.P.
登録日2023-04-03
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK5
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BU of 8ok5 by Molmil
Variant Surface Glycoprotein VSG11 monomer with iodine
分子名称: IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK6
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BU of 8ok6 by Molmil
Variant Surface Glycoprotein VSG11 two monomers
分子名称: SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
1W9N
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BU of 1w9n by Molmil
Isolation and characterization of epilancin 15X, a novel antibiotic from a clinical strain of Staphylococcus epidermidis
分子名称: EPILANCIN 15X
著者Ekkelenkamp, M, Hanssen, M.G.M, Hsu, S.-T.D, de Jong, A, Milatovic, D, Verhoef, J, van Nuland, N.A.J.
登録日2004-10-14
公開日2005-04-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Isolation and structural characterization of epilancin 15X, a novel lantibiotic from a clinical strain of Staphylococcus epidermidis.
FEBS Lett., 579, 2005
8P4X
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BU of 8p4x by Molmil
FAD_ox bound dark state structure of PdLCry
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment)
著者Behrmann, E, Behrmann, H.
登録日2023-05-23
公開日2023-11-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
2Q2O
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BU of 2q2o by Molmil
Crystal structure of H183C Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
分子名称: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2Q3J
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BU of 2q3j by Molmil
Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin
分子名称: Ferrochelatase, MAGNESIUM ION, N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-30
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2F61
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BU of 2f61 by Molmil
Crystal structure of partially deglycosylated acid beta-glucosidase
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, Acid beta-glucosidase, ...
著者Hegde, R.S, Grabowski, G.
登録日2005-11-28
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analyses of Variant Acid beta-Glucosidases: EFFECTS OF GAUCHER DISEASE MUTATIONS.
J.Biol.Chem., 281, 2006
1A6C
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BU of 1a6c by Molmil
STRUCTURE OF TOBACCO RINGSPOT VIRUS
分子名称: TOBACCO RINGSPOT VIRUS CAPSID PROTEIN
著者Johnson, J.E, Chandrasekar, V.
登録日1998-02-23
公開日1998-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of tobacco ringspot virus: a link in the evolution of icosahedral capsids in the picornavirus superfamily.
Structure, 6, 1998
1OGY
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BU of 1ogy by Molmil
Crystal structure of the heterodimeric nitrate reductase from Rhodobacter sphaeroides
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIHEME CYTOCHROME C NAPB MOLECULE: NITRATE REDUCTASE, HEME C, ...
著者Arnoux, P, Sabaty, M, Alric, J, Frangioni, B, Guigliarelli, B, Adriano, J.-M, Pignol, D.
登録日2003-05-19
公開日2003-10-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Redox Plasticity in the Heterodimeric Periplasmic Nitrate Reductase
Nat.Struct.Biol., 10, 2003
2Q2N
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BU of 2q2n by Molmil
Crystal structure of Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
分子名称: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
著者Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
登録日2007-05-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2NDI
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BU of 2ndi by Molmil
Solution structure of the toxin ISTX-I from Ixodes scapularis
分子名称: Putative secreted salivary protein
著者Hu, K.
登録日2016-06-01
公開日2017-06-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
3H5Z
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BU of 3h5z by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA
分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC)
登録日2009-04-22
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献N-myristoyltransferase inhibitors as new leads to treat sleeping sickness.
Nature, 464, 2010
3ZG0
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BU of 3zg0 by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
分子名称: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-13
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
分子名称: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Palte, R.L, Schneider, S.E.
登録日2019-11-08
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
著者Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
4JF6
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BU of 4jf6 by Molmil
Structure of OXA-23 at pH 7.0
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2013-02-27
公開日2013-09-25
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
6UXX
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PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
分子名称: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Palte, R.L, Schneider, S.E.
登録日2019-11-08
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
1D3Q
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CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000

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