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1XH2
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BU of 1xh2 by Molmil
Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ...
著者Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D.
登録日2004-09-17
公開日2005-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
6O2C
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BU of 6o2c by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
5NB2
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BU of 5nb2 by Molmil
Crystal structures of homooligomers of collagen type IV. alpha2NC1
分子名称: Collagen alpha-2(IV) chain
著者Casino, P, Marina, A.
登録日2017-02-28
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of collagen IV globular domains: insight into associated pathologies, folding and network assembly.
IUCrJ, 5, 2018
1XHL
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BU of 1xhl by Molmil
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
分子名称: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ...
著者Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-09-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
6HFP
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BU of 6hfp by Molmil
Human dihydroorotase mutant F1563T co-crystallized with carbamoyl aspartate at pH 7.0
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1982286 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
7XYB
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BU of 7xyb by Molmil
The cryo-EM structure of an AlpA-loaded complex
分子名称: AlpA, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wen, A, Feng, Y.
登録日2022-06-01
公開日2022-07-20
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of AlpA-dependent transcription antitermination.
Nucleic Acids Res., 50, 2022
6HDA
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BU of 6hda by Molmil
Crystal structure of the potassium channel MtTMEM175 with cesium
分子名称: CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ...
著者Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
登録日2018-08-17
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
分子名称: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
登録日2018-12-10
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
1G2G
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BU of 1g2g by Molmil
MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION
分子名称: ALPHA-CONOTOXIN IMI
著者Lamthanh, H, Jegou-Matheron, C, Servent, D, Menez, A, Lancelin, J.M.
登録日2000-10-19
公開日2000-11-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Minimal conformation of the alpha-conotoxin ImI for the alpha7 neuronal nicotinic acetylcholine receptor recognition: correlated CD, NMR and binding studies.
FEBS Lett., 454, 1999
5NDG
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BU of 5ndg by Molmil
Crystal structure of geneticin (G418) bound to the yeast 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
登録日2017-03-08
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NDJ
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BU of 5ndj by Molmil
Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
登録日2017-03-08
公開日2018-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6NDI
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BU of 6ndi by Molmil
Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae
分子名称: Transcriptional regulator
著者Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-13
公開日2018-12-26
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
4NL5
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BU of 4nl5 by Molmil
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
分子名称: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ...
著者Morse, R.P, Chao, A, Goulding, C.W.
登録日2013-11-13
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
5N0E
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BU of 5n0e by Molmil
Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.
分子名称: 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Di Fiore, A, De Simone, G.
登録日2017-02-02
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
6GFX
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BU of 6gfx by Molmil
pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a)
分子名称: Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ...
著者Castro, G.V, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
2PDH
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BU of 2pdh by Molmil
Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
6HFI
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BU of 6hfi by Molmil
Human dihydroorotase mutant F1563A apo structure
分子名称: CAD protein, FORMIC ACID, ZINC ION
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45994723 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
1YC1
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BU of 1yc1 by Molmil
Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles
分子名称: 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha
著者Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X.
登録日2004-12-21
公開日2005-02-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
6NEV
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BU of 6nev by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant
分子名称: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
3G64
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BU of 3g64 by Molmil
Crystal structure of putative enoyl-CoA hydratase from Streptomyces coelicolor A3(2)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Putative enoyl-CoA hydratase, ...
著者Kim, Y, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-02-06
公開日2009-03-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Putative Enoyl-CoA Hydratase from Streptomyces coelicolor A3(2)
To be Published
6NFD
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BU of 6nfd by Molmil
beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11
著者Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-19
公開日2018-12-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
6GFZ
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BU of 6gfz by Molmil
pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b)
分子名称: (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Testa, A, Ciulli, A.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.
J. Am. Chem. Soc., 140, 2018
3GEE
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BU of 3gee by Molmil
Crystal structure of MnmE from Chlorobium tepidum in complex with GDP and FOLINIC ACID
分子名称: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, tRNA modification GTPase mnmE
著者Meyer, S, Wittinghofer, A.
登録日2009-02-25
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
3BFP
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BU of 3bfp by Molmil
Crystal Structure of apo-PglD from Campylobacter jejuni
分子名称: Acetyltransferase, CITRATE ANION
著者Rangarajan, E.S, Watson, D.C, Leclerc, S, Proteau, A, Cygler, M, Matte, A, Young, N.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2007-11-22
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Active Site Residues of PglD, an N-Acetyltransferase from the Bacillosamine Synthetic Pathway Required for N-Glycan Synthesis in Campylobacter jejuni.
Biochemistry, 47, 2008
5N51
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BU of 5n51 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-Dibromothiophene-2-carboxylic acid
分子名称: 3,4-bis(bromanyl)thiophene-2-carboxylic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-11
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published

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