2I47
 
 | | Crystal structure of catalytic domain of TACE with inhibitor | | Descriptor: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Xu, W, Condon, J.S, Lovering, F.E. | | Deposit date: | 2006-08-21 | | Release date: | 2006-12-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007
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1P2R
 | | T4 LYSOZYME CORE REPACKING MUTANT I78V/TA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | | Deposit date: | 2003-04-15 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
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1RH0
 | | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT | | Descriptor: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | | Deposit date: | 2003-11-13 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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8GUA
 | | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-09-11 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2HXU
 | | Crystal structure of K220A mutant of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and L-fuconate | | Descriptor: | 6-deoxy-L-galactonic acid, L-fuconate dehydratase, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
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5M8O
 | | Crystal structure of human tyrosinase related protein 1 in complex with tropolone | | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | | Deposit date: | 2016-10-29 | | Release date: | 2017-07-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
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2HYY
 | | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5MKZ
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5LD8
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6TB0
 | | Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii | | Descriptor: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | | Deposit date: | 2019-10-31 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
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1RGC
 | | THE COMPLEX BETWEEN RIBONUCLEASE T1 AND 3'-GUANYLIC ACID SUGGESTS GEOMETRY OF ENZYMATIC REACTION PATH. AN X-RAY STUDY | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE T1 | | Authors: | Heydenreich, A, Koellner, G, Choe, H.W, Cordes, F, Kisker, C, Schindelin, H, Adamiak, R, Hahn, U, Saenger, W. | | Deposit date: | 1993-05-12 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The complex between ribonuclease T1 and 3'GMP suggests geometry of enzymic reaction path. An X-ray study.
Eur.J.Biochem., 218, 1993
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1JZ2
 | | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE (ORTHORHOMBIC) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, ... | | Authors: | Juers, D.H, McCarter, J.D, Mackenzie, L, Withers, S.G, Matthews, B.W. | | Deposit date: | 2001-09-13 | | Release date: | 2001-12-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
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8G01
 | | YES Complex - E. coli MraY, Protein E ID21, E. coli SlyD | | Descriptor: | FKBP-type peptidyl-prolyl cis-trans isomerase SlyD, GPE, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Orta, A.K, Clemons, W.M, Riera, N. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
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1K30
 | | Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase | | Descriptor: | glycerol-3-phosphate acyltransferase | | Authors: | Turnbull, A.P, Rafferty, J.B, Sedelnikova, S.E, Slabas, A.R, Schierer, T.P, Kroon, J.T, Simon, J.W, Fawcett, T, Nishida, I, Murata, N, Rice, D.W. | | Deposit date: | 2001-10-01 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase.
Structure, 9, 2001
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8G02
 | | YES Complex - E. coli MraY, Protein E PhiX174, E. coli SlyD | | Descriptor: | Lysis protein E, Peptidyl-prolyl cis-trans isomerase, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Orta, A.K, Clemons, W.M, Li, Y.E. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
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7QU9
 | | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | | Descriptor: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | | Authors: | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
To Be Published
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7QWE
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7QWD
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7QWB
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4LCX
 | | The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-06-24 | | Release date: | 2013-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
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1R35
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE | | Descriptor: | 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Shieh, H.S, Stevens, A.M, Stallings, W.C. | | Deposit date: | 2003-09-30 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain.
Org.Biomol.Chem., 1, 2003
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8G9L
 | | DNA initiation subcomplex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ... | | Authors: | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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1RHD
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2JLA
 | | Crystal structure of E.coli MenD, 2-succinyl-5-enolpyruvyl-6-hydroxy- 3-cyclohexadiene-1-carboxylate synthase - SeMet protein | | Descriptor: | 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Dawson, A, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2008-09-05 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Specificity and Reactivity in Menaquinone Biosynthesis: The Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase).
J.Mol.Biol., 384, 2008
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1R66
 | | Crystal Structure of DesIV (dTDP-glucose 4,6-dehydratase) from Streptomyces venezuelae with NAD and TYD bound | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TDP-glucose-4,6-dehydratase, ... | | Authors: | Allard, S.T.M, Cleland, W.W, Holden, H.M. | | Deposit date: | 2003-10-14 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High Resolution X-ray Structure of dTDP-Glucose 4,6-Dehydratase from Streptomyces venezuelae
J.Biol.Chem., 279, 2004
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