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1O9A
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BU of 1o9a by Molmil
Solution structure of the complex of 1F12F1 from fibronectin with B3 from FnBB from S. dysgalactiae
分子名称: FIBRONECTIN, FIBRONECTIN BINDING PROTEIN
著者Schwarz-Linek, U, Werner, J.M, Pickford, A.R, Pilka, E.S, Gurusiddappa, S, Briggs, J.A.G, Hook, M, Campbell, I.D, Potts, J.R.
登録日2002-12-11
公開日2003-05-08
最終更新日2018-01-24
実験手法SOLUTION NMR
主引用文献Pathogenic bacteria attach to human fibronectin through a tandem beta-zipper.
Nature, 423, 2003
7JN0
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BU of 7jn0 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-08-03
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
8CIE
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BU of 8cie by Molmil
Crystal structure of the human CDKL5 kinase domain with compound YL-354
分子名称: 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION
著者Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N.
登録日2023-02-09
公開日2023-06-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
1A1R
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BU of 1a1r by Molmil
HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX
分子名称: NS3 PROTEIN, NS4A PROTEIN, ZINC ION
著者Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A.
登録日1997-12-15
公開日1998-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Cell(Cambridge,Mass.), 87, 1996
7SMI
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BU of 7smi by Molmil
Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea
分子名称: L-galactose dehydrogenase
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2021-10-26
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
7SML
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BU of 7sml by Molmil
Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia
分子名称: L-GALACTONO-1,4-LACTONE DEHYDROGENASE
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2021-10-26
公開日2022-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu.
J.Exp.Bot., 2024
5KZN
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BU of 5kzn by Molmil
Metabotropic Glutamate Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5KZQ
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Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
分子名称: (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
3KPD
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BU of 3kpd by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3KPB
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BU of 3kpb by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
2V08
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BU of 2v08 by Molmil
Structure of wild-type Phormidium laminosum cytochrome c6
分子名称: CHLORIDE ION, CYTOCHROME C6, HEME C, ...
著者Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J.
登録日2007-05-10
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
1GKL
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BU of 1gkl by Molmil
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with ferulic acid
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ACETATE ION, CADMIUM ION, ...
著者Prates, J.A.M, Tarbouriech, N, Charnock, S.J, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J.
登録日2001-08-15
公開日2001-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structure of the feruloyl esterase module of xylanase 10B from Clostridium thermocellum provides insights into substrate recognition.
Structure, 9, 2001
6I59
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BU of 6i59 by Molmil
Long wavelength native-SAD phasing of Sen1 helicase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M.
登録日2018-11-13
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
1G9O
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BU of 1g9o by Molmil
FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR
分子名称: NHE-RF
著者Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A.
登録日2000-11-26
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains.
J.Mol.Biol., 308, 2001
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
著者Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
登録日2013-07-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
6Z1M
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BU of 6z1m by Molmil
Structure of an Ancestral glycosidase (family 1) bound to heme
分子名称: 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ...
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
登録日2020-05-14
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
1DCO
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DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR
分子名称: DCOH
著者Cronk, J.D, Endrizzi, J.A, Alber, T.
登録日1996-05-16
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue.
Protein Sci., 5, 1996
1DF1
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BU of 1df1 by Molmil
MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, NITRIC OXIDE SYNTHASE, ...
著者Crane, B.R, Rosenfeld, R.J, Arvai, A.S, Ghosh, D.K, Ghosh, S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D.
登録日1999-11-16
公開日1999-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献N-terminal domain swapping and metal ion binding in nitric oxide synthase dimerization.
EMBO J., 18, 1999
1DKT
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BU of 1dkt by Molmil
CKSHS1: HUMAN CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1 COMPLEX WITH METAVANADATE
分子名称: CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1, META VANADATE
著者Bourne, Y, Arvai, A.S, Tainer, J.A.
登録日1995-11-22
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
J.Mol.Biol., 249, 1995
1DCP
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DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR, COMPLEXED WITH BIOPTERIN
分子名称: 7,8-DIHYDROBIOPTERIN, DCOH
著者Cronk, J.D, Endrizzi, J.A, Alber, T.
登録日1996-05-16
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue.
Protein Sci., 5, 1996
1DKS
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BU of 1dks by Molmil
CKSHS1: HUMAN CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1 IN COMPLEX WITH PHOSPHATE
分子名称: CYCLIN DEPENDENT KINASE SUBUNIT, TYPE 1, PHOSPHATE ION
著者Bourne, Y, Arvai, A.S, Tainer, J.A.
登録日1995-11-22
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the human cell cycle protein CksHs1: single domain fold with similarity to kinase N-lobe domain.
J.Mol.Biol., 249, 1995
1E4I
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BU of 1e4i by Molmil
2-deoxy-2-fluoro-beta-D-glucosyl/enzyme intermediate complex of the beta-glucosidase from Bacillus polymyxa
分子名称: 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, BETA-GLUCOSIDASE
著者Sanz-Aparicio, J, Gonzalez, B, Hermoso, J.A, Arribas, J.C, Canada, F.J, Polaina, J.
登録日2000-07-06
公開日2001-07-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Increased Resistance to Thermal Denaturation Induced by Single Amino Acid Substitution in the Sequence of Beta-Glucosidase a from Bacillus Polymyxa.
Proteins: Struct.,Funct., Genet., 33, 1998
8BJY
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Engineered Fructosyl Peptide Oxidase - X02B mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-08
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
8BLX
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Engineered Fructosyl Peptide Oxidase - X02A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-10
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023

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