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1MSN
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BU of 1msn by Molmil
The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with KNI-764 (an inhibitor)
分子名称: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-19
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
1MRX
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BU of 1mrx by Molmil
Structure of HIV protease (Mutant Q7K L33I L63I V82F I84V ) complexed with KNI-577
分子名称: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-18
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
4OF4
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BU of 4of4 by Molmil
X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2014-01-14
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution
To be Published
6CDR
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BU of 6cdr by Molmil
Human CtBP1 (28-378)
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
著者Royer, W.E, Bellesis, A.G.
登録日2018-02-09
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
2VPO
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BU of 2vpo by Molmil
High resolution structure of the periplasmic binding protein TeaA from TeaABC TRAP transporter of Halomonas elongata in complex with hydroxyectoine
分子名称: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, MAGNESIUM ION, PERIPLASMIC SUBSTRATE BINDING PROTEIN
著者Kuhlmann, S.I, Terwisscha van Scheltinga, A.C, Bienert, R, Kunte, H.J, Ziegler, C.
登録日2008-03-03
公開日2008-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.55 A Structure of the Ectoine Binding Protein Teaa of the Osmoregulated Trap-Transporter Teaabc from Halomonas Elongata.
Biochemistry, 47, 2008
4O84
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BU of 4o84 by Molmil
SAICAR synthetase (Type-1) in complex with GMP
分子名称: 1,4-BUTANEDIOL, CADMIUM ION, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Manjunath, K, Jeyakanthan, J, Sekar, K.
登録日2013-12-26
公開日2014-12-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献SAICAR synthetase (Type-1) in complex with GMP
To be Published
4CDJ
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BU of 4cdj by Molmil
Structure of ZNRF3 ectodomain
分子名称: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, FORMIC ACID
著者Peng, W.C, de Lau, W, Madoori, P.K, Forneris, F, Granneman, J.C.M, Clevers, H, Gros, P.
登録日2013-11-01
公開日2014-01-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of Wnt-Antagonist Znrf3 and its Complex with R-Spondin 1 and Implications for Signaling.
Plos One, 8, 2013
5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
1MRW
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BU of 1mrw by Molmil
Structure of HIV protease (Mutant Q7K L33I L63I) complexed with KNI-577
分子名称: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-18
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
4FMZ
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BU of 4fmz by Molmil
Crystal structure of an internalin (inlF) from Listeria monocytogenes str. 4b F2365 at 1.91 A resolution
分子名称: 1,2-ETHANEDIOL, Internalin
著者Joint Center for Structural Genomics (JCSG)
登録日2012-06-18
公開日2012-07-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of an internalin (inlF) from Listeria monocytogenes str. 4b F2365 at 1.91 A resolution
To be published
4OCJ
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BU of 4ocj by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM ION
著者Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
登録日2014-01-09
公開日2014-05-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCU
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BU of 4ocu by Molmil
N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE ION
著者Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
登録日2014-01-09
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
1MSM
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BU of 1msm by Molmil
The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor)
分子名称: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-19
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
4BZV
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BU of 4bzv by Molmil
The Solution Structure of the MLN 944-d(TACGCGTA)2 complex
分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA
著者Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G.
登録日2013-07-30
公開日2013-08-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
4BZU
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BU of 4bzu by Molmil
The Solution Structure of the MLN 944-d(TATGCATA)2 Complex
分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA
著者Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G.
登録日2013-07-30
公開日2013-08-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
4OCQ
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BU of 4ocq by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase
著者Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
登録日2014-01-09
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
7C5O
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BU of 7c5o by Molmil
Crystal Structure of H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with NAD at 1.98 Angstrom resolution.
分子名称: CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
3NUF
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BU of 3nuf by Molmil
Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PRD-containing transcription regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-06
公開日2010-09-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
To be published
5Z5D
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BU of 5z5d by Molmil
Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08
分子名称: Beta-xylosidase, CALCIUM ION, GLYCEROL
著者Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W.
登録日2018-01-17
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
8GPI
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BU of 8gpi by Molmil
HIV-1 Env X18 UFO in complex with 8ANC195 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
3KC0
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BU of 3kc0 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
分子名称: Fructose-1,6-bisphosphatase 1, [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2R43
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BU of 2r43 by Molmil
I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ...
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
3KJ0
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BU of 3kj0 by Molmil
Mcl-1 in complex with Bim BH3 mutant I2dY
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Fire, E, Grant, R.A, Keating, A.E.
登録日2009-11-02
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
2QE9
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BU of 2qe9 by Molmil
Crystal structure of a putative metal-dependent hydrolase (yiza, bsu10800) from bacillus subtilis at 1.90 A resolution
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, NICKEL (II) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-25
公開日2007-07-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of uncharacterized protein BSU10800 (YP_054576.1) from Bacillus subtilis at 1.90 A resolution
To be published
4YWQ
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Crystal structure of the ROQ domain of human Roquin-1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2015-03-20
公開日2015-04-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the ROQ domain of human Roquin-1
To be Published

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