1SYF
 
 | | ENGINEERING ALTERNATIVE BETA-TURN TYPES IN STAPHYLOCOCCAL NUCLEASE | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Hynes, T.R, Hodel, A, Fox, R.O. | | Deposit date: | 1994-01-07 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering alternative beta-turn types in staphylococcal nuclease.
Biochemistry, 33, 1994
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4IGJ
 | | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175 | | Descriptor: | Maleylacetoacetate isomerase, SULFATE ION | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2012-12-17 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175
To be Published
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1SY6
 | | Crystal Structure of CD3gammaepsilon Heterodimer in Complex with OKT3 Fab Fragment | | Descriptor: | OKT3 Fab heavy chain, OKT3 Fab light chain, T-cell surface glycoprotein CD3 gamma/epsilon chain | | Authors: | Kjer-Nielsen, L, Dunstone, M.A, Kostenko, L, Ely, L.K, Beddoe, T, Misfud, N.A, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J. | | Deposit date: | 2004-03-31 | | Release date: | 2004-05-25 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the human T cell receptor CD3(epsilon)(gamma) heterodimer complexed to the therapeutic mAb OKT3.
Proc.Natl.Acad.Sci.USA, 101, 2004
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6W5F
 | | Class D beta-lactamase BSU-2 delta mutant | | Descriptor: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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5JY5
 | | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Bravo-Chaucanes, C.P, Abadio, A.K.R, Kioshima, E.S, Felipe, M.S.S, Barbosa, J.A.R.G. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution
To Be Published
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1T0F
 | | Crystal Structure of the TnsA/TnsC(504-555) complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MALONIC ACID, ... | | Authors: | Ronning, D.R, Li, Y, Perez, Z.N, Ross, P.D, Hickman, A.B, Craig, N.L, Dyda, F. | | Deposit date: | 2004-04-08 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The carboxy-terminal portion of TnsC activates the Tn7 transposase through a specific interaction with TnsA.
Embo J., 23, 2004
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2UZ5
 | | Solution structure of the fkbp-domain of Legionella pneumophila Mip | | Descriptor: | MACROPHAGE INFECTIVITY POTENTIATOR | | Authors: | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Steinert, M, Kamphausen, T, Fischer, G, Hacker, J, Rosch, P, Faber, C. | | Deposit date: | 2007-04-25 | | Release date: | 2007-06-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Domain Motions of the Mip Protein from Legionella Pneumophila
Biochemistry, 45, 2006
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2I91
 | | 60kDa Ro autoantigen in complex with a fragment of misfolded RNA | | Descriptor: | 5'-R(*C*GP*GP*UP*AP*GP*GP*CP*UP*UP*UP*UP*CP*AP*A)-3', 5'-R(*GP*CP*CP*UP*AP*CP*CP*C)-3', 60 kDa SS-A/Ro ribonucleoprotein, ... | | Authors: | Reinisch, K.M, Stein, A.J. | | Deposit date: | 2006-09-04 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural and biochemical basis for misfolded RNA recognition by the Ro autoantigen.
Nat.Struct.Mol.Biol., 13, 2006
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1T25
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ... | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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2VCD
 | | Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin | | Descriptor: | Outer membrane protein MIP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Paschke, A.-K, Fischer, G, Roesch, P, Faber, C. | | Deposit date: | 2007-09-20 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Legionella pneumophila Mip-rapamycin complex.
BMC Struct. Biol., 8, 2008
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6W8M
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | Descriptor: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | | Deposit date: | 2020-03-20 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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6W8K
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | Descriptor: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | | Deposit date: | 2020-03-20 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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2I5Q
 | | Crystal structure of Apo L-rhamnonate dehydratase from Escherichia Coli | | Descriptor: | L-rhamnonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-25 | | Release date: | 2006-09-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
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3EOR
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... | | Authors: | Hunter, W.N, Ramsden, N.L, Dawson, A. | | Deposit date: | 2008-09-29 | | Release date: | 2009-08-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
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3EOU
 | | tRNA-guanine transglycosylase in complex with 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Ritschel, T, Heine, A, Klebe, G. | | Deposit date: | 2008-09-29 | | Release date: | 2009-09-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Chemmedchem, 4, 2009
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3E4A
 | | Human IDE-inhibitor complex at 2.6 angstrom resolution | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ... | | Authors: | Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J. | | Deposit date: | 2008-08-11 | | Release date: | 2009-05-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin.
Plos One, 5, 2010
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1T9C
 | | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | | Descriptor: | Acetolactate synthase, mitochondrial, ETHYL DIHYDROGEN DIPHOSPHATE, ... | | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2004-05-16 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
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1TA6
 | | Crystal structure of thrombin in complex with compound 14b | | Descriptor: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | | Deposit date: | 2004-05-19 | | Release date: | 2004-06-08 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
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6I4S
 | | Crystal structure of the disease-causing R447G mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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1JJF
 | | STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM | | Descriptor: | ENDO-1,4-BETA-XYLANASE Z, PLATINUM (II) ION | | Authors: | Schubot, F.D, Kataeva, I.A, Blum, D.L, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2001-07-05 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the substrate specificity of the feruloyl esterase domain of the cellulosomal xylanase Z from Clostridium thermocellum.
Biochemistry, 40, 2001
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6I4T
 | | Crystal structure of the disease-causing I445M mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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1JMA
 | | CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS GLYCOPROTEIN D BOUND TO THE CELLULAR RECEPTOR HVEA/HVEM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN D, HERPESVIRUS ENTRY MEDIATOR, ... | | Authors: | Carfi, A, Willis, S.H, Whitbeck, J.C, Krummenacker, C, Cohen, G.H, Eisenberg, R.J, Wiley, D.C. | | Deposit date: | 2001-07-17 | | Release date: | 2001-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Herpes simplex virus glycoprotein D bound to the human receptor HveA.
Mol.Cell, 8, 2001
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7ZLH
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
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2VUS
 | | Crystal structure of unliganded NmrA-AreA zinc finger complex | | Descriptor: | CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ... | | Authors: | Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K. | | Deposit date: | 2008-05-30 | | Release date: | 2008-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
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1TA2
 | | Crystal structure of thrombin in complex with compound 1 | | Descriptor: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | | Deposit date: | 2004-05-19 | | Release date: | 2004-06-08 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
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