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7HVP
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BU of 7hvp by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
著者Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-09-13
公開日1993-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
3KLY
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BU of 3kly by Molmil
Pentameric formate channel
分子名称: Putative formate transporter 1, octyl beta-D-glucopyranoside
著者Waight, A.B, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2009-11-09
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of a pentameric formate channel
Nat.Struct.Mol.Biol., 17, 2010
5ZHP
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M3 muscarinic acetylcholine receptor in complex with a selective antagonist
分子名称: (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ...
著者Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P.
登録日2018-03-13
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5GIV
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BU of 5giv by Molmil
Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1
分子名称: ACETATE ION, Carboxypeptidase 1, ZINC ION
著者Sharma, B, Singh, R, Yadav, P, Ghosh, B, Kumar, A, Jamdar, S.N, Makde, R.D.
登録日2016-06-25
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations
Biochim. Biophys. Acta, 1865, 2017
4PG6
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Crystal structure of S. aureus Homoserine Dehydrogenase at pH7.0
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Navratna, V, Gopal, B.
登録日2014-05-01
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the catalytic mechanism of homoserine dehydrogenase.
Acta Crystallogr.,Sect.D, 71, 2015
6HQ1
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BU of 6hq1 by Molmil
Solution structure of the globular domain from human histone H1.0
分子名称: Histone H1.0
著者Martinsen, J.H, Bugge, K, Kragelund, B.B.
登録日2018-09-23
公開日2019-10-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Micromolar affinity association of an IDP and a folded protein without the involvement of persistent binding sites
To Be Published
6GWC
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BU of 6gwc by Molmil
Tubulin:iE5 alphaRep complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALPHA-TUBULIN, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Gigant, B, Campanacci, V.
登録日2018-06-22
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selection and Characterization of Artificial Proteins Targeting the Tubulin alpha Subunit.
Structure, 27, 2019
2WLO
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BU of 2wlo by Molmil
POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM
分子名称: POTASSIUM CHANNEL, POTASSIUM ION
著者Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M.
登録日2009-06-24
公開日2010-06-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.036 Å)
主引用文献Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
5DIE
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BU of 5die by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol
分子名称: (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-08-31
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6H02
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Crystal structure of human Mediator subunit MED23
分子名称: LAMA nanobody NB106, Mediator of RNA polymerase II transcription subunit 23
著者Clantin, B, Monte, D, Villeret, V.
登録日2018-07-06
公開日2018-08-29
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human Mediator subunit MED23.
Nat Commun, 9, 2018
6I33
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BU of 6i33 by Molmil
Crystal structure of human glycine decarboxylase (P-protein)
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Glycine dehydrogenase (decarboxylating), ...
著者Van Laer, B, Kapp, U, Leonard, G, Mueller-Dieckmann, C.
登録日2018-11-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights in human glycine decarboxylase and comparison with the Neanderthal variant
To Be Published
2WRZ
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BU of 2wrz by Molmil
Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state
分子名称: L-ARABINOSE-BINDING PERIPLASMIC PROTEIN
著者Schreier, B, Stumpp, C, Wiesner, S, Hocker, B.
登録日2009-09-03
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
6C48
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BU of 6c48 by Molmil
Crystal structure of B-Myb-LIN9-LIN52 complex
分子名称: Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ...
著者Guiley, K.Z, Tripathi, S.M, Rubin, S.M.
登録日2018-01-11
公開日2018-09-19
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural mechanism of Myb-MuvB assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2X05
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BU of 2x05 by Molmil
Inhibition of the exo-beta-D-glucosaminidase CsxA by a glucosamine- configured castanospermine and an amino-australine analogue
分子名称: AMINO-CASTANOSPERMINE, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE
著者Pluvinage, B, Ghinet, M.G, Brzezinski, R, Boraston, A.B, Stubbs, K.A.
登録日2009-12-05
公開日2009-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of the Exo-Beta-D-Glucosaminidase Csxa by a Glucosamine-Configured Castanospermine and an Amino-Australine Analogue.
Org.Biomol.Chem., 7, 2009
5VVB
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BU of 5vvb by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5VWI
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BU of 5vwi by Molmil
Crystal structure of human Scribble PDZ1:Beta-PIX complex
分子名称: Protein scribble homolog, beta-PIX
著者Lim, K.Y.B, Kvansakul, M.
登録日2017-05-22
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the differential interaction of Scribble PDZ domains with the guanine nucleotide exchange factor beta-PIX.
J. Biol. Chem., 292, 2017
1EUY
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BU of 1euy by Molmil
GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH A TRNA MUTANT AND AN ACTIVE SITE INHIBITOR
分子名称: 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, GLUTAMINYL TRNA, GLUTAMINYL-TRNA SYNTHETASE
著者Sherlin, L.D, Bullock, T.L, Newberry, K.J, Lipman, R.S.A, Hou, Y.-M, Beijer, B, Sproat, B.S, Perona, J.J.
登録日2000-04-19
公開日2000-06-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Influence of transfer RNA tertiary structure on aminoacylation efficiency by glutaminyl and cysteinyl-tRNA synthetases.
J.Mol.Biol., 299, 2000
5VQP
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BU of 5vqp by Molmil
Crystal structure of human pro-TGF-beta1
分子名称: Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
登録日2017-05-09
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Orlando, B.J, Lucido, M.J, Malkowski, M.G.
登録日2014-05-05
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
5BYN
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BU of 5byn by Molmil
Canavalia maritima lectin complexed with synthetic selenoamino acid
分子名称: (4R)-4-{[(S)-tert-butoxy(hydroxy)methyl]amino}-5-[(1S)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol, 1,2-ETHANEDIOL, CADMIUM ION, ...
著者Nobrega, R.B, Silva-Filho, J.C, Kawasoko, C.Y, Rodrigues, O.E.D, Schwab, R.S, Braga, A.L, Delatorre, P, Cavada, B.S.
登録日2015-06-10
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Canavalia maritima lectin complexed with synthetic selenoamino acid
To Be Published
4PG5
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BU of 4pg5 by Molmil
Crystal structure of S. aureus Homoserine Dehydrogenase at pH6.5
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Navratna, V, Gopal, B.
登録日2014-05-01
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the catalytic mechanism of homoserine dehydrogenase.
Acta Crystallogr.,Sect.D, 71, 2015
7JH4
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Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R.
登録日2020-07-20
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
5C0Q
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Crystal structure of Zn bound CbsA from Thermotoga neapolitana
分子名称: Beta-N-acetylhexosaminidase, ZINC ION
著者Ha, N.C, Kim, J.S, Yoon, B.Y.
登録日2015-06-12
公開日2015-09-16
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Crystal structure of beta-N-acetylglucosaminidase CbsA from Thermotoga neapolitana
Biochem.Biophys.Res.Commun., 464, 2015
7M5M
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PCNA bound to peptide mimetic
分子名称: N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2021-03-24
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
3EH8
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Crystal structure of Y2 I-AniI variant (F13Y/S111Y)/DNA complex with calcium
分子名称: 31-MER, CALCIUM ION, Intron-encoded DNA endonuclease I-AniI
著者Takeuchi, R, Stoddard, B.L.
登録日2008-09-11
公開日2009-01-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Optimization of in vivo activity of a bifunctional homing endonuclease and maturase reverses evolutionary degradation.
Nucleic Acids Res., 37, 2009

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