7TJ0
 
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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5JPH
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus in complex with CoA | | Descriptor: | Acetyltransferase SACOL1063, CHLORIDE ION, COENZYME A | | Authors: | Majorek, K.A, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-03 | | Release date: | 2016-06-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
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2VBB
 | | Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure) | | Descriptor: | FE (II) ION, GLYCEROL, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2007-09-07 | | Release date: | 2008-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
J.Am.Chem.Soc., 130, 2008
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2EO0
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1A3X
 | | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+ | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | | Deposit date: | 1998-01-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.
Structure, 6, 1998
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1L7M
 | | HIGH RESOLUTION LIGANDED STRUCTURE OF PHOSPHOSERINE PHOSPHATASE (PI COMPLEX) | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase | | Authors: | Wang, W, Cho, H.S, Kim, R, Jancarik, J, Yokota, H, Nguyen, H.H, Grigoriev, I.V, Wemmer, D.E, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2002-03-15 | | Release date: | 2002-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states.
J.Mol.Biol., 319, 2002
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1AH1
 | | CTLA-4, NMR, 20 STRUCTURES | | Descriptor: | CTLA-4, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Metzler, W.J, Bajorath, J, Fenderson, W, Shaw, S.-Y, Peach, R, Constantine, K.L, Naemura, J, Leytze, G, Lavoie, T.B, Mueller, L, Linsley, P.S. | | Deposit date: | 1997-04-11 | | Release date: | 1998-04-15 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human CTLA-4 and delineation of a CD80/CD86 binding site conserved in CD28.
Nat.Struct.Biol., 4, 1997
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1AFV
 | | HIV-1 CAPSID PROTEIN (P24) COMPLEX WITH FAB25.3 | | Descriptor: | ANTIBODY FAB25.3 FRAGMENT (HEAVY CHAIN), ANTIBODY FAB25.3 FRAGMENT (LIGHT CHAIN), HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 CAPSID PROTEIN, ... | | Authors: | Momany, C, Kovari, L.C, Prongay, A.J, Keller, W, Gitti, R.K, Lee, B.M, Gorbalenya, A.E, Tong, L, Mcclure, J, Ehrlich, L.S, Summers, M.F, Carter, C, Rossmann, M.G. | | Deposit date: | 1997-03-14 | | Release date: | 1997-08-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of dimeric HIV-1 capsid protein.
Nat.Struct.Biol., 3, 1996
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1A6S
 | | M-DOMAIN FROM GAG POLYPROTEIN OF ROUS SARCOMA VIRUS, NMR, 20 STRUCTURES | | Descriptor: | GAG POLYPROTEIN | | Authors: | Mcdonnell, J.M, Fushman, D, Cahill, S.M, Zhou, W, Wolven, A, Wilson, C.B, Nelle, T.D, Resh, M.D, Wills, J, Cowburn, D. | | Deposit date: | 1998-03-02 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the bioactive retroviral M domain from Rous sarcoma virus
J.Mol.Biol., 279, 1998
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2ARK
 | | Structure of a flavodoxin from Aquifex aeolicus | | Descriptor: | Flavodoxin, GLYCEROL, PHOSPHATE ION | | Authors: | Cuff, M.E, Quartey, P, Zhou, M, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-25 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a flavodoxin from Aquifex aeolicus
To be Published
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5KA8
 | | Protein Tyrosine Phosphatase 1B L192A mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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2ASQ
 | | Solution Structure of SUMO-1 in Complex with a SUMO-binding Motif (SBM) | | Descriptor: | Protein inhibitor of activated STAT2, Small ubiquitin-related modifier 1 | | Authors: | Song, J, Zhang, Z, Hu, W, Chen, Y. | | Deposit date: | 2005-08-23 | | Release date: | 2005-10-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Small Ubiquitin-like Modifier (SUMO) Recognition of a SUMO Binding Motif: A reversal of the bound orientation
J.Biol.Chem., 280, 2005
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2X3T
 | | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-06-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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2X6O
 | | Tet Repressor class D in complex with 7-chlor-2-cyano-iso- tetracycline | | Descriptor: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE, CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS D | | Authors: | Volkers, G, Hinrichs, W. | | Deposit date: | 2010-02-18 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recognition of Drug Degradation Products by Target Proteins: Isotetracycline Binding to Tet Repressor.
J.Med.Chem., 54, 2011
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2B3A
 | | Solution structure of the Ras-binding domain of the Ral Guanosine Dissociation Stimulator | | Descriptor: | Ral guanine nucleotide dissociation stimulator | | Authors: | Gronwald, W, Maurer, T, Fuechsl, R, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R. | | Deposit date: | 2005-09-20 | | Release date: | 2006-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | New insights into binding of the possible cancer target RalGDS
To be Published
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5HJI
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1DP9
 | | CRYSTAL STRUCTURE OF IMIDAZOLE-BOUND FIXL HEME DOMAIN | | Descriptor: | FIXL PROTEIN, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gong, W, Hao, B, Chan, M.K. | | Deposit date: | 1999-12-24 | | Release date: | 2000-12-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New mechanistic insights from structural studies of the oxygen-sensing domain of Bradyrhizobium japonicum FixL.
Biochemistry, 39, 2000
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2B5U
 | | Crystal Structure Of Colicin E3 V206C Mutant In Complex With Its Immunity Protein | | Descriptor: | CITRIC ACID, Colicin E3, Colicin E3 immunity protein | | Authors: | Nallini Vijayarangan, A, Nithianantham, S, Nan, W, Jakes, K, Shoham, M. | | Deposit date: | 2005-09-29 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure Of Colicin E3 In Complex With Its Immunity Protein
TO BE PUBLISHED
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5H9U
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2WW7
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2B34
 | | Structure of MAR1 Ribonuclease from Caenorhabditis elegans | | Descriptor: | MAR1 Ribonuclease | | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2005-09-19 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans
To be Published
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5HBQ
 | | C63D mutant of the rhodanese domain of YgaP | | Descriptor: | CHLORIDE ION, Inner membrane protein YgaP, SODIUM ION | | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | | Deposit date: | 2016-01-02 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein.
J.Mol.Biol., 428, 2016
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5HDG
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2VFW
 | | Rv1086 native | | Descriptor: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | | Authors: | Naismith, J.H, Wang, W, Dong, C. | | Deposit date: | 2007-11-05 | | Release date: | 2007-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
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2AGQ
 | | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*(DOC))-3', 5'-D(*TP*CP*AP*TP*GP*AP*GP*TP*CP*CP*TP*GP*TP*AP*GP*CP*C)-3', ... | | Authors: | Ling, H, Yang, W. | | Deposit date: | 2005-07-27 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis.
Embo J., 24, 2005
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