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2CKE
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BU of 2cke by Molmil
Human death-associated DRP-1 kinase in complex with inhibitor
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 2, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE
著者Kursula, P, Wilmanns, M.
登録日2006-04-18
公開日2007-05-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Drp-1 Complexed with an Inhibitor
To be Published
1Q2V
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BU of 1q2v by Molmil
Crystal structure of the chaperonin from Thermococcus strain KS-1 (nucleotide-free form)
分子名称: SULFATE ION, Thermosome alpha subunit
著者Shomura, Y, Yoshida, T, Iizuka, R, Yohda, M, Maruyama, T, Miki, K.
登録日2003-07-26
公開日2004-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of the Group II Chaperonin from Thermococcus strain KS-1: Steric Hindrance by the Substituted Amino Acid, and Inter-subunit Rearrangement between Two Crystal Forms.
J.Mol.Biol., 335, 2004
4HXV
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BU of 4hxv by Molmil
Crystal structure of 3'(2'),5'-bisphosphate nucleotidase1 from Entamoeba histolytica in complex with AMP and metal ions
分子名称: 3'(2'),5'-bisphosphate nucleotidase, putative, ADENOSINE MONOPHOSPHATE, ...
著者Tarique, K.F, Abdul Rehman, S.A, Gourinath, S.
登録日2012-11-12
公開日2013-11-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elucidation of a dual-activity PAP phosphatase-1 from Entamoeba histolytica capable of hydrolysing both 3'-phosphoadenosine 5'-phosphate and inositol 1,4-bisphosphate
Acta Crystallogr.,Sect.D, 70, 2014
4I33
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BU of 4i33 by Molmil
Crystal structure of HCV NS3/4A R155K protease complexed with compound 4
分子名称: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
著者Lemke, C.T.
登録日2012-11-23
公開日2013-01-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9001 Å)
主引用文献Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
1FHB
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BU of 1fhb by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE CYANIDE ADDUCT OF A MET80ALA VARIANT OF SACCHAROMYCES CEREVISIAE ISO-1-CYTOCHROME C. IDENTIFICATION OF LIGAND-RESIDUE INTERACTIONS IN THE DISTAL HEME CAVITY
分子名称: CYANIDE ION, FERRICYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE
著者Banci, L, Bertini, I, Bren, K.L, Gray, H.B, Sompornpisut, P, Turano, P.
登録日1995-06-16
公開日1995-09-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Three-Dimensional Solution Structure of the Cyanide Adduct of a met80Ala Variant of Saccharomyces Cerevisiae Iso-1-Cytochrome C. Identification of Ligand-Residue Interactions in the Distal Heme Cavity
Biochemistry, 34, 1995
5QET
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BU of 5qet by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000017a
分子名称: 1-(4-amino-2-hydroxyphenyl)ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
2BWQ
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BU of 2bwq by Molmil
Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution
分子名称: REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION
著者Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J.
登録日2005-07-15
公開日2005-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution.
Biochemistry, 44, 2005
4MWS
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BU of 4mws by Molmil
Crystal structure of human PPCA (trigonal crystal form 1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lysosomal protective protein, ...
著者Kolli, N, Garman, S.C.
登録日2013-09-25
公開日2014-03-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Proteolytic activation of human cathepsin A.
J.Biol.Chem., 289, 2014
5QEF
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BU of 5qef by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000134a
分子名称: 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
3ORX
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BU of 3orx by Molmil
PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
分子名称: 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-08
公開日2011-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2044 Å)
主引用文献Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
1GNX
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BU of 1gnx by Molmil
b-glucosidase from Streptomyces sp
分子名称: BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M.
登録日2001-10-10
公開日2002-10-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Beta-Glucosidase from Streptomyces
To be Published
4Q6I
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BU of 4q6i by Molmil
Crystal structure of murine 2D5 Fab, a potent anti-CD4 HIV-1-neutralizing antibody in complex with CD4
分子名称: Heavy chain of murine 2D5 Fab, Light chain of murine 2D5 Fab, T-cell surface glycoprotein CD4
著者Boyington, J.C, Nabel, G.J, Mascola, J.R.
登録日2014-04-22
公開日2014-07-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Neutralizing antibodies to HIV-1 envelope protect more effectively in vivo than those to the CD4 receptor.
Sci Transl Med, 6, 2014
3RSQ
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BU of 3rsq by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3HKY
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BU of 3hky by Molmil
HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6
分子名称: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ...
著者Nyanguile, O, De Bondt, H.L.
登録日2009-05-26
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
4PYH
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BU of 4pyh by Molmil
Phospho-glucan bound structure of starch phosphatase Starch EXcess4 reveals the mechanism for C6-specificty
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Meekins, D.A, Vander Kooi, C.W.
登録日2014-03-27
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phosphoglucan-bound structure of starch phosphatase Starch Excess4 reveals the mechanism for C6 specificity.
Proc.Natl.Acad.Sci.USA, 111, 2014
3P05
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BU of 3p05 by Molmil
X-ray structure of pentameric HIV-1 CA
分子名称: HIV-1 CA, IODIDE ION
著者Pornillos, O.
登録日2010-09-27
公開日2011-01-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic-level modelling of the HIV capsid.
Nature, 469, 2011
3HKW
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BU of 3hkw by Molmil
HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
分子名称: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ...
著者Nyanguile, O, De Bondt, H.L.
登録日2009-05-26
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
5QG6
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BU of 5qg6 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA001176b
分子名称: 1-(2-phenoxyphenyl)ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1BNU
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BU of 1bnu by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1GNT
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BU of 1gnt by Molmil
Hybrid Cluster Protein from Desulfovibrio vulgaris. X-ray structure at 1.25A resolution using synchrotron radiation.
分子名称: HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, IRON/SULFUR/OXYGEN HYBRID CLUSTER
著者Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.
登録日2001-10-08
公開日2002-04-11
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hybrid cluster proteins (HCPs) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at 1.25 A resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 7, 2002
1BO9
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BU of 1bo9 by Molmil
NMR SOLUTION STRUCTURE OF DOMAIN 1 OF HUMAN ANNEXIN I
分子名称: PROTEIN (ANNEXIN I)
著者Gao, J, Yan Li, H.
登録日1998-08-10
公開日1998-08-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of domain 1 of human annexin I shows an autonomous folding unit.
J.Biol.Chem., 274, 1999
3PA1
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BU of 3pa1 by Molmil
Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type A
分子名称: 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ...
著者Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D.
登録日2010-10-18
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability.
J.Virol., 85, 2011
1NAX
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BU of 1nax by Molmil
Thyroid receptor beta1 in complex with a beta-selective ligand
分子名称: Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
著者Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J.
登録日2002-11-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
7EW0
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BU of 7ew0 by Molmil
Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
3ZT7
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BU of 3zt7 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011

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