1RUR
 
 | | Crystal Structure (I) of native Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected at SSRL beamline 9-1. | | Descriptor: | ZINC ION, immunoglobulin 13G5, heavy chain, ... | | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | | Deposit date: | 2003-12-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
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1RUQ
 | | Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house. | | Descriptor: | ZINC ION, immunoglobulin 13G5 heavy chain, immunoglobulin 13G5 light chain | | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | | Deposit date: | 2003-12-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
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5E4Z
 | | Crystal structure of methionine gamma-lyase from Citrobacter freundii with C115A substitution | | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PENTAETHYLENE GLYCOL, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V. | | Deposit date: | 2015-10-07 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii
To Be Published
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1R4Q
 | | Shiga toxin | | Descriptor: | SHT cytotoxin A subunit, Shigella toxin chain B | | Authors: | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | | Deposit date: | 2003-10-07 | | Release date: | 2004-05-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7.
J.Biol.Chem., 279, 2004
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5DSZ
 | | Gamma-subunit of the translation initiation factor 2 from S. solfataricus | | Descriptor: | Translation initiation factor 2 subunit gamma | | Authors: | Kravchenko, O.V, Nikonov, O.S, Stolboushkina, E.A, Nevskaya, N.A, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2015-09-17 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gamma-subunit of the translation initiation factor 2 from S. solfataricus
To Be Published
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5E1E
 | | Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution | | Descriptor: | 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1 | | Authors: | Ferguson, A.D. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-25 | | Last modified: | 2015-12-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5V2R
 | | Structure of a GA Rich 8x8 Nucleotide RNA Internal Loop | | Descriptor: | RNA (5'-R(*CP*CP*AP*GP*AP*AP*AP*CP*GP*GP*AP*UP*GP*GP*A)-3') | | Authors: | Kauffmann, A.D, Kennedy, S.D, Turner, D.H. | | Deposit date: | 2017-03-06 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Structure of an 8 8 Nucleotide RNA Internal Loop Flanked on Each Side by Three Watson-Crick Pairs and Comparison to Three-Dimensional Predictions.
Biochemistry, 56, 2017
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1QCW
 | | Flavocytochrome B2, ARG289LYS mutant | | Descriptor: | FLAVOCYTOCHROME B2, N-SULFO-FLAVIN MONONUCLEOTIDE | | Authors: | Mowat, C.G, Durley, R.C.E, Pike, A.D, Barton, J.D, Chen, Z.-W, Mathews, F.S, Lederer, F, Reid, G.A, Chapman, S.K. | | Deposit date: | 1999-05-07 | | Release date: | 1999-05-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Kinetic and crystallographic studies on the active site Arg289Lys mutant of flavocytochrome b2 (yeast L-lactate dehydrogenase)
Biochemistry, 39, 2000
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1QH5
 | | HUMAN GLYOXALASE II WITH S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE | | Descriptor: | GLUTATHIONE, PROTEIN (HYDROXYACYLGLUTATHIONE HYDROLASE), S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE, ... | | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | | Deposit date: | 1999-05-11 | | Release date: | 1999-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of human glyoxalase II and its complex with a glutathione thiolester substrate analogue.
Structure Fold.Des., 7, 1999
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1QIC
 | | CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION | | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | | Deposit date: | 1999-06-11 | | Release date: | 2003-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
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3HPI
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5WEJ
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-10 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.
Eur J Med Chem, 143, 2017
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5WFI
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5WKL
 | | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | | Descriptor: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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5EMX
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8SLT
 | | Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa) | | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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8SLU
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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1ULL
 | | RNA APTAMER COMPLEXED WITH HIV-1 REV PEPTIDE, NMR, 7 STRUCTURES | | Descriptor: | REV PEPTIDE, RNA (5'-R (GP*GP*CP*UP*GP*GP*AP*CP*UP*CP*GP*UP*AP*CP*UP*UP*CP*GP* GP*UP*AP*CP*UP*GP*GP*AP*GP*AP*AP*AP*CP*AP*GP*CP*C)-3') | | Authors: | Ye, X, Gorin, A, Ellington, A.D, Patel, D.J. | | Deposit date: | 1996-11-05 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Deep penetration of an alpha-helix into a widened RNA major groove in the HIV-1 rev peptide-RNA aptamer complex.
Nat.Struct.Biol., 3, 1996
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5E8O
 | | The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU in complex with H-2D(b) | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | | Deposit date: | 2015-10-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
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1QIA
 | | CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | | Descriptor: | CALCIUM ION, STROMELYSIN-1, ZINC ION | | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | | Deposit date: | 1999-06-11 | | Release date: | 2003-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
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1TUR
 | | SOLUTION STRUCTURE OF TURKEY OVOMUCOID THIRD DOMAIN AS DETERMINED FROM NUCLEAR MAGNETIC RESONANCE DATA | | Descriptor: | OVOMUCOID | | Authors: | Krezel, A.M, Darba, P, Robertson, A.D, Fejzo, J, Macura, S, Markley, J.L. | | Deposit date: | 1994-07-06 | | Release date: | 1994-10-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of turkey ovomucoid third domain as determined from nuclear magnetic resonance data.
J.Mol.Biol., 242, 1994
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1QIB
 | | CRYSTAL STRUCTURE OF GELATINASE A CATALYTIC DOMAIN | | Descriptor: | 72 kDa type IV collagenase, CALCIUM ION, ZINC ION | | Authors: | Dhanaraj, V, Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A, Rubin, J.R, Skeean, R.W, White, A.D, Humblet, C, Hupe, D.J, Blundell, T.L. | | Deposit date: | 1999-06-11 | | Release date: | 1999-11-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structure of gelatinase A catalytic domain complexed with a hydroxamate inhibitor
Croatica Chemica Acta, 72, 1999
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1QW7
 | | Structure of an Engineered Organophosphorous Hydrolase with Increased Activity Toward Hydrolysis of Phosphothiolate Bonds | | Descriptor: | COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase, ... | | Authors: | Mesecar, A.D, Grimsley, J.K, Holton, T, Wild, J.R. | | Deposit date: | 2003-09-01 | | Release date: | 2004-11-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site.
Arch.Biochem.Biophys., 442, 2005
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1TX8
 | | Bovine Trypsin complexed with AMSO | | Descriptor: | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen | | Authors: | Mesecar, A.D. | | Deposit date: | 2004-07-02 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
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