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3WZ8
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Endothiapepsin in complex with Gewald reaction-derived inhibitor (8)
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Kuhnert, M, Steuber, H, Diederich, W.E.
登録日2014-09-19
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3P81
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Pentaerythritol tetranitrate reductase co-crystal structure containing a bound (E)-1-(4'-hydroxyphenyl)-2-nitroethene molecule
分子名称: 4-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P7Y
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Pentaerythritol tetranitrate reductase co-crystal structure with bound (E)-1-(2'-hydroxyphenyl)-2-nitroethene
分子名称: 2-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
4PXQ
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BU of 4pxq by Molmil
Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-24
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
2GIY
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BU of 2giy by Molmil
Crystal Structure of the C-terminal domain of the HSV-1 gE ectodomain
分子名称: Glycoprotein E
著者Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J.
登録日2006-03-29
公開日2006-05-30
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging.
Plos Biol., 4, 2006
3ZJI
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BU of 3zji by Molmil
Tyr(61)B10Ala mutation of M.acetivorans protoglobin in complex with cyanide
分子名称: CYANIDE ION, GLYCEROL, PROTOGLOBIN, ...
著者Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
登録日2013-01-18
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
3ZDV
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Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside
分子名称: 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ...
著者Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A.
登録日2012-11-30
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Acs Chem.Biol., 8, 2013
3ZHK
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The crystal structure of single domain antibody 2x1 scaffold
分子名称: MG2X1 SCAFFOLD ANTIBODY, SULFATE ION
著者Song, H.-N, Woo, E.-J, Lim, H.-K.
登録日2012-12-22
公開日2014-01-08
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
2R8A
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BU of 2r8a by Molmil
Crystal structure of the long-chain fatty acid transporter FadL mutant delta N8
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein
著者Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B.
登録日2007-09-10
公開日2008-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
3WY7
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BU of 3wy7 by Molmil
Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF
分子名称: 8-amino-7-oxononanoate synthase
著者Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J.
登録日2014-08-20
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
4RPL
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BU of 4rpl by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galp
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2014-10-30
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2499 Å)
主引用文献Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
1Q7S
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Crystal structure of bit1
分子名称: bit1
著者De Pereda, J.M, Waas, W.F, Jan, Y, Ruoslahti, E, Schimmel, P, Pascual, J.
登録日2003-08-19
公開日2003-12-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a human peptidyl-tRNA hydrolase reveals a new fold and suggests basis for a bifunctional activity.
J.Biol.Chem., 279, 2004
4RPG
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BU of 4rpg by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase, ...
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2014-10-30
公開日2015-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
4RWC
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BU of 4rwc by Molmil
Racemic M2-TM crystallized from racemic detergent
分子名称: Matrix protein 2, octyl beta-D-glucopyranoside
著者Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
登録日2014-12-02
公開日2015-10-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
1QTI
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BU of 1qti by Molmil
Acetylcholinesterase (E.C.3.1.1.7)
分子名称: (-)-GALANTHAMINE, ACETYLCHOLINESTERASE
著者Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D.
登録日1999-06-28
公開日1999-12-29
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs
Proteins, 42, 2001
3L8G
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BU of 3l8g by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with D-glycero-D-manno-heptose 1 ,7-bisphosphate
分子名称: 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
分子名称: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3U6K
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Ef-tu (escherichia coli) in complex with nvp-ldk733
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D.J.
登録日2011-10-12
公開日2012-02-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
2L27
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BU of 2l27 by Molmil
NMR Structure of the ECD1 of CRF-R1 in complex with a peptide agonist
分子名称: Corticotropin-releasing factor receptor 1, peptide agonist
著者Grace, C.R.R, Perrin, M.H, Gulyas, J.R.R, Rivier, J.E, Vale, W.W, Riek, R.R.
登録日2010-08-12
公開日2010-09-01
最終更新日2017-03-01
実験手法SOLUTION NMR
主引用文献NMR structure of the first extracellular domain of corticotropin-releasing factor receptor 1 (ECD1-CRF-R1) complexed with a high affinity agonist.
J.Biol.Chem., 285, 2010
1J7W
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BU of 1j7w by Molmil
Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA
分子名称: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin
著者Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
登録日2001-05-19
公開日2002-02-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
3ET5
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BU of 3et5 by Molmil
Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase Complexed with tungstate
分子名称: MAGNESIUM ION, Outer membrane protein P4, NADP phosphatase, ...
著者Tanner, J.J.
登録日2008-10-06
公開日2008-10-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase Reveals a New Member of the Haloacid Dehalogenase Superfamily.
Biochemistry, 46, 2007
1M7H
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Crystal Structure of APS kinase from Penicillium Chrysogenum: Structure with APS soaked out of one dimer
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Adenylylsulfate kinase, ...
著者Lansdon, E.B, Sege, I.H, Fisher, A.J.
登録日2002-07-19
公開日2002-11-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-Induced Structural Changes in Adenosine 5'-Phosphosulfate Kinase from Penicillium chrysogenum.
Biochemistry, 41, 2002
3PGU
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Phe3Glu mutant of EcFadL
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein, NICKEL (II) ION, ...
著者Lepore, B.W, Indic, M, Pham, H, Hearn, E, Patel, D, van den Berg, B.
登録日2010-11-02
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
3GMB
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Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase
分子名称: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E.
登録日2009-03-13
公開日2009-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PLP degradative enzyme 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti MAFF303099 and its mechanistic implications.
Biochemistry, 48, 2009
3U6B
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Ef-tu (escherichia coli) in complex with nvp-ldi028
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D.J.
登録日2011-10-12
公開日2012-02-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011

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