1JN4
 
 | | The Crystal Structure of Ribonuclease A in complex with 2'-deoxyuridine 3'-pyrophosphate (P'-5') adenosine | | Descriptor: | ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE, Pancreatic Ribonuclease A | | Authors: | Jardine, A.M, Leonidas, D.D, Jenkins, J.L, Park, C, Raines, R.T, Acharya, K.R, Shapiro, R. | | Deposit date: | 2001-07-23 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cleavage of 3',5'-Pyrophosphate-Linked Dinucleotides by Ribonuclease A and Angiogenin
Biochemistry, 40, 2001
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1A5Q
 | | P93A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A | | Descriptor: | RIBONUCLEASE A, SULFATE ION | | Authors: | Pearson, M.A, Karplus, P.A, Dodge, R.W, Laity, J.H, Scheraga, H.A. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of two mutants that have implications for the folding of bovine pancreatic ribonuclease A.
Protein Sci., 7, 1998
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1AES
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE) | | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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3PLD
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 4-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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2A9M
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1ARM
 | | CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, HG-CARBOXYPEPTIDASE A=ALPHA= (COX), ... | | Authors: | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | | Deposit date: | 1994-11-22 | | Release date: | 1996-08-17 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms.
Acta Crystallogr.,Sect.D, 54, 1998
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4GR0
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ... | | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | | Deposit date: | 2012-08-24 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
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3PLL
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 2-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3NE0
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1ZJN
 | | Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus with dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2005-04-29 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate.
STRUCTURE, 13, 2005
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3PMY
 | | Endothiapepsin in complex with a fragment | | Descriptor: | Endothiapepsin, GLYCEROL, N-(1H-benzimidazol-1-yl)-2-phenylacetamide | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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1DF3
 | | SOLUTION STRUCTURE OF A RECOMBINANT MOUSE MAJOR URINARY PROTEIN | | Descriptor: | MAJOR URINARY PROTEIN | | Authors: | Luecke, C, Franzoni, L, Abbate, F, Loehr, F, Ferrari, E, Sorbi, R.T, Rueterjans, H, Spisni, A. | | Deposit date: | 1999-11-17 | | Release date: | 2000-05-10 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a recombinant mouse major urinary protein.
Eur.J.Biochem., 266, 1999
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3U18
 | | Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor | | Descriptor: | 1,2-ETHANEDIOL, 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid), GLYCEROL, ... | | Authors: | Asojo, O.A. | | Deposit date: | 2011-09-29 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Novel Allosteric Inhibitor of Macrophage Migration Inhibitory Factor (MIF).
J.Biol.Chem., 287, 2012
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2ZKO
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1SCU
 | | THE CRYSTAL STRUCTURE OF SUCCINYL-COA SYNTHETASE FROM ESCHERICHIA COLI AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | COENZYME A, SUCCINYL-COA SYNTHETASE, ALPHA SUBUNIT, ... | | Authors: | Wolodko, W.T, Fraser, M.E, James, M.N.G, Bridger, W.A. | | Deposit date: | 1993-11-18 | | Release date: | 1995-04-20 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of succinyl-CoA synthetase from Escherichia coli at 2.5-A resolution.
J.Biol.Chem., 269, 1994
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1ZJM
 | | Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus | | Descriptor: | 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', DNA polymerase beta, ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2005-04-29 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate.
STRUCTURE, 13, 2005
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3UF6
 | | The crystal structure of a possible phosphate acetyl/butaryl transferase (from Listeria monocytogenes EGD-e) in complex with CoD (3'-dephosphocoenzyme A) | | Descriptor: | DEPHOSPHO COENZYME A, Lmo1369 protein | | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-10-31 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of a possible phosphate acetyl/butaryl transferase (from Listeria monocytogenes EGD-e) in complex with CoD (3'-dephosphocoenzyme A)
To be Published
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1BH4
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1BDD
 | | STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | STAPHYLOCOCCUS AUREUS PROTEIN A | | Authors: | Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I. | | Deposit date: | 1996-06-28 | | Release date: | 1997-01-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
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4LRT
 | | Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site | | Descriptor: | 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, COENZYME A, ... | | Authors: | Fischer, B, Branlant, G, Talfournier, F, Gruez, A. | | Deposit date: | 2013-07-20 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site
To be Published
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3V3Z
 | | I(L177)H mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Shuvalov, V.A. | | Deposit date: | 2011-12-14 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The site-directed mutation I(L177)H in Rhodobacter sphaeroides reaction center affects coordination of P(A) and B(B) bacteriochlorophylls.
Biochim.Biophys.Acta, 1817, 2012
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2A81
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | | Descriptor: | ACETYL COENZYME *A, BICINE, CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-07 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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1VOT
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | | Descriptor: | ACETYLCHOLINESTERASE, Huperzine A | | Authors: | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 1996-06-23 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
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3QUE
 | | Human p38 MAP Kinase in Complex with Skepinone-L | | Descriptor: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | | Deposit date: | 2011-02-23 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
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3V3Y
 | | Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Shuvalov, V.A. | | Deposit date: | 2011-12-14 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The site-directed mutation I(L177)H in Rhodobacter sphaeroides reaction center affects coordination of P(A) and B(B) bacteriochlorophylls.
Biochim.Biophys.Acta, 1817, 2012
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