1XH2
 
 | | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | | Deposit date: | 2004-09-17 | | Release date: | 2005-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
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6O2C
 | | Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.017 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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5NB2
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1XHL
 | | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ... | | Authors: | 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) | | Deposit date: | 2004-09-20 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
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6HFP
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7XYB
 | | The cryo-EM structure of an AlpA-loaded complex | | Descriptor: | AlpA, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Wen, A, Feng, Y. | | Deposit date: | 2022-06-01 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of AlpA-dependent transcription antitermination.
Nucleic Acids Res., 50, 2022
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6HDA
 | | Crystal structure of the potassium channel MtTMEM175 with cesium | | Descriptor: | CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ... | | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | | Deposit date: | 2018-08-17 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
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6NBS
 | | WT ERK2 with compound 2507-8 | | Descriptor: | (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | 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. | | Deposit date: | 2018-12-10 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
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1G2G
 | | MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION | | Descriptor: | ALPHA-CONOTOXIN IMI | | Authors: | Lamthanh, H, Jegou-Matheron, C, Servent, D, Menez, A, Lancelin, J.M. | | Deposit date: | 2000-10-19 | | Release date: | 2000-11-08 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | 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
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5NDG
 | | Crystal structure of geneticin (G418) bound to the yeast 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6NDI
 | | Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae | | Descriptor: | Transcriptional regulator | | Authors: | 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) | | Deposit date: | 2018-12-13 | | Release date: | 2018-12-26 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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5NDJ
 | | Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | | Deposit date: | 2017-03-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4NL5
 | | Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide | | Descriptor: | ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ... | | Authors: | Morse, R.P, Chao, A, Goulding, C.W. | | Deposit date: | 2013-11-13 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
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5N0E
 | | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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6GFX
 | | pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a) | | Descriptor: | Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ... | | Authors: | Castro, G.V, Testa, A, Ciulli, A. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-11 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 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
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2PDH
 | | Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. | | Descriptor: | 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 | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-03-31 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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6HFI
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1YC1
 | | Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles | | Descriptor: | 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha | | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
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6NEV
 | | FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant | | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | 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. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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3G64
 | | Crystal structure of putative enoyl-CoA hydratase from Streptomyces coelicolor A3(2) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Putative enoyl-CoA hydratase, ... | | Authors: | Kim, Y, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-02-06 | | Release date: | 2009-03-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of Putative Enoyl-CoA Hydratase from Streptomyces coelicolor A3(2)
To be Published
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6NFD
 | | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11 | | Authors: | Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-19 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
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6GFZ
 | | pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b) | | Descriptor: | (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, ... | | Authors: | Gadd, M.S, Testa, A, Ciulli, A. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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3GEE
 | | Crystal structure of MnmE from Chlorobium tepidum in complex with GDP and FOLINIC ACID | | Descriptor: | 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 | | Authors: | Meyer, S, Wittinghofer, A. | | Deposit date: | 2009-02-25 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
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3BFP
 | | Crystal Structure of apo-PglD from Campylobacter jejuni | | Descriptor: | Acetyltransferase, CITRATE ANION | | Authors: | Rangarajan, E.S, Watson, D.C, Leclerc, S, Proteau, A, Cygler, M, Matte, A, Young, N.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2007-11-22 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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
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5N51
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