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1AL1
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CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN
分子名称: ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION
著者Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D.
登録日1990-07-02
公開日1991-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of alpha 1: implications for protein design.
Science, 249, 1990
1AIW
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BU of 1aiw by Molmil
NMR STRUCTURES OF THE CELLULOSE-BINDING DOMAIN OF THE ENDOGLUCANASE Z FROM ERWINIA CHRYSANTHEMI, 23 STRUCTURES
分子名称: ENDOGLUCANASE Z
著者Brun, E, Moriaud, F, Gans, P, Blackledge, M.J, Barras, F, Marion, D.
登録日1997-04-30
公開日1998-05-06
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Solution structure of the cellulose-binding domain of the endoglucanase Z secreted by Erwinia chrysanthemi.
Biochemistry, 36, 1997
5EIL
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BU of 5eil by Molmil
Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid
分子名称: FE (III) ION, TRI-05
著者Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D.
登録日2015-10-30
公開日2016-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design of a homotrimeric metalloprotein with a trisbipyridyl core.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5GY7
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BU of 5gy7 by Molmil
X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis.
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NITRATE ION, ...
著者Singh, N, Tiwari, P, Phulera, S, Dixit, A, Choudhury, D.
登録日2016-09-21
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis.
To Be Published
3OY1
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BU of 3oy1 by Molmil
Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties
分子名称: 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10
著者Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N.
登録日2010-09-22
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
5GXV
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BU of 5gxv by Molmil
Crystal structure of PigG
分子名称: MAGNESIUM ION, Maltose-binding periplasmic protein,PigG
著者Zhang, F, Ran, T, Xu, D, Wang, W.
登録日2016-09-20
公開日2017-07-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MBP-PigG fusion protein and the essential function of PigG in the prodigiosin biosynthetic pathway in Serratia marcescens FS14.
Int. J. Biol. Macromol., 99, 2017
3SIG
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BU of 3sig by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase (PARG) bound to ADP-ribose from Thermomonospora curvata
分子名称: [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, poly(ADP-ribose) glycohydrolase
著者Leys, D, Dunstan, M.S.
登録日2011-06-18
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
5H1E
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BU of 5h1e by Molmil
Interaction between vitamin D receptor and coactivator peptide SRC2-3
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor
著者Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K.
登録日2016-10-08
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
1B4T
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BU of 1b4t by Molmil
H48C YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
分子名称: CHLORIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ...
著者Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
登録日1998-12-23
公開日1999-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
5H3N
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BU of 5h3n by Molmil
Solution structure of human Gelsolin protein domain 1 at pH 7.3
分子名称: Gelsolin
著者Fan, J.S, Yang, D.
登録日2016-10-26
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1.
Sci Rep, 7, 2017
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
著者Sudom, A, Whittington, D, Garces, F, Wang, Z.
登録日2021-02-23
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
8R1G
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BU of 8r1g by Molmil
Dimeric ternary structure of E6AP-E6-p53
分子名称: Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ...
著者Sandate, C.R, Chakrabory, D, Kater, L, Kempf, G, Thoma, N.H.
登録日2023-11-01
公開日2023-12-06
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
5H3M
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BU of 5h3m by Molmil
Solution structure of human Gelsolin protein domain 1 at pH 5.0
分子名称: Gelsolin
著者Fan, J.S, Yang, D.
登録日2016-10-26
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1.
Sci Rep, 7, 2017
5G5T
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BU of 5g5t by Molmil
Structure of the Argonaute protein from Methanocaldcoccus janaschii in complex with guide DNA
分子名称: ARGONAUTE, GUIDE DNA, MAGNESIUM ION, ...
著者Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S.
登録日2016-06-03
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein.
Nat Microbiol, 2, 2017
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5G4L
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BU of 5g4l by Molmil
Phloroglucinol reductase from Clostridium sp. with bound NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
4P38
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BU of 4p38 by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
分子名称: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Ogg, D, Hargreaves, D, Gerhardt, S.
登録日2014-03-06
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
5G3Z
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BU of 5g3z by Molmil
Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound
分子名称: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
1B4L
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BU of 1b4l by Molmil
15 ATMOSPHERE OXYGEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
分子名称: COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ZINC ION
著者Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
登録日1998-12-22
公開日1999-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
5G5S
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BU of 5g5s by Molmil
Structure of the Argonaute protein from Methanocaldcoccus janaschii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGONAUTE, MAGNESIUM ION
著者Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S.
登録日2016-06-03
公開日2017-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein.
Nat Microbiol, 2, 2017
7P9D
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BU of 7p9d by Molmil
Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
著者Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D.
登録日2021-07-27
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
7P9E
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BU of 7p9e by Molmil
Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain CS mutant
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
著者Fuesser, F, Kuemmel, D.
登録日2021-07-27
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
1D92
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REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3')
著者Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O.
登録日1992-10-17
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs.
J.Mol.Biol., 190, 1986
3SPD
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BU of 3spd by Molmil
Crystal structure of aprataxin ortholog Hnt3 in complex with DNA
分子名称: Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ...
著者Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D.
登録日2011-07-01
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Nat.Struct.Mol.Biol., 18, 2011
5EPO
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BU of 5epo by Molmil
The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase
分子名称: 7-alpha-hydroxysteroid deydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lou, D, Wang, B, Wang, F.
登録日2015-11-12
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The three-dimensional structure of Clostridium absonum 7 alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition
Sci Rep, 6, 2016

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