3PBW
 
 | | Crystal structure of the mutant L123N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-21 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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4JZ5
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4K2K
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-09 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pressure effects on proteins
To be Published
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3PBU
 | | Crystal structure of the mutant I96S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-21 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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3PC0
 | | Crystal structure of the mutant V155S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-21 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.298 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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4JD7
 | | Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate | | Descriptor: | Proline racemase, SULFATE ION | | Authors: | Vetting, M.W, 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, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-24 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate
To be Published
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1NQ9
 | | Crystal Structure of Antithrombin in the Pentasaccharide-Bound Intermediate State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ... | | Authors: | Huntington, J.A, Johnson, D.J.D. | | Deposit date: | 2003-01-21 | | Release date: | 2003-09-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Antithrombin in a Heparin-Bound Intermediate State
Biochemistry, 42, 2003
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1C7V
 | | NMR SOLUTION STRUCTURE OF THE CALCIUM-BOUND C-TERMINAL DOMAIN (W81-S161) OF CALCIUM VECTOR PROTEIN FROM AMPHIOXUS | | Descriptor: | CALCIUM VECTOR PROTEIN | | Authors: | Theret, I, Baladi, S, Cox, J.A, Sakamoto, H, Craescu, C.T. | | Deposit date: | 2000-03-27 | | Release date: | 2000-04-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Sequential calcium binding to the regulatory domain of calcium vector protein reveals functional asymmetry and a novel mode of structural rearrangement.
Biochemistry, 39, 2000
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1QB3
 | | CRYSTAL STRUCTURE OF THE CELL CYCLE REGULATORY PROTEIN CKS1 | | Descriptor: | CYCLIN-DEPENDENT KINASES REGULATORY SUBUNIT | | Authors: | Bourne, Y, Watson, M.H, Arvai, A.S, Bernstein, S.L, Reed, S.I, Tainer, J.A. | | Deposit date: | 1999-04-30 | | Release date: | 2000-08-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure and mutational analysis of the Saccharomyces cerevisiae cell cycle regulatory protein Cks1: implications for domain swapping, anion binding and protein interactions.
Structure Fold.Des., 8, 2000
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4JED
 | | Crystal structure of glutathione s-transferase mrad2831_1084 (target efi-507060) from methylobacterium radiotolerans jcm 2831, complex with glutathione sulfonate | | Descriptor: | GLUTATHIONE S-TRANSFERASE, GLUTATHIONE SULFONIC ACID, GLYCEROL | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-26 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of glutathione S-transferase (TARGET EFI-507060) from Methylobacterium radiotolerans
To be Published
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3PDS
 | | Irreversible Agonist-Beta2 Adrenoceptor Complex | | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | | Deposit date: | 2010-10-24 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
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3PDX
 | | Crystal structural of mouse tyrosine aminotransferase | | Descriptor: | Tyrosine aminotransferase | | Authors: | Mehere, P.V, Han, Q, Lemkul, J.A, Robinson, H, Bevan, D.R, Li, J. | | Deposit date: | 2010-10-25 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.
Protein Cell, 1, 2010
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4JR1
 | | Human procaspase-7 bound to Ac-DEVD-CMK | | Descriptor: | Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7 | | Authors: | Thomsen, N.D, Wells, J.A. | | Deposit date: | 2013-03-20 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3PBV
 | | Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-21 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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1NP7
 | | Crystal Structure Analysis of Synechocystis sp. PCC6803 cryptochrome | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Brudler, R, Hitomi, K, Daiyasu, H, Toh, H, Kucho, K, Ishiura, M, Kanehisa, M, Roberts, V.A, Todo, T, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-01-17 | | Release date: | 2003-01-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a new cryptochrome class: structure, function, and evolution
Mol.Cell, 11, 2003
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1E3S
 | | Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE | | Authors: | Powell, A.J, Read, J.A, Banfield, M.J, Brady, R.L. | | Deposit date: | 2000-06-22 | | Release date: | 2001-05-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition of Structurally Diverse Substrates by Type II 3-Hydroxyacyl-Coa Dehydrogenase (Hadh II) Amyloid-Beta Binding Alcohol Dehydrogenase (Abad)
J.Mol.Biol., 303, 2000
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1QES
 | | TANDEM GU MISMATCHES IN RNA, NMR, 30 STRUCTURES | | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*UP*UP*CP*C)-3') | | Authors: | Mcdowell, J.A, He, L, Chen, X, Turner, D.H. | | Deposit date: | 1997-03-04 | | Release date: | 1997-06-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Investigation of the structural basis for thermodynamic stabilities of tandem GU wobble pairs: NMR structures of (rGGAGUUCC)2 and (rGGAUGUCC)2.
Biochemistry, 36, 1997
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1NM6
 | | thrombin in complex with selective macrocyclic inhibitor at 1.8A | | Descriptor: | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE, Hirudin, thrombin | | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | | Deposit date: | 2003-01-09 | | Release date: | 2003-09-02 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors
Bioorg.Med.Chem.Lett., 13, 2003
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1OEM
 | | PTP1B with the catalytic cysteine oxidized to a sulfenyl-amide bond | | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | | Authors: | Salmeen, A, Andersen, J.N, Myers, M.P, Meng, T.C, Hinks, J.A, Tonks, N.K, Barford, D. | | Deposit date: | 2003-03-28 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Redox Regulation of Protein Tyrosine Phosphatase Involves a Sulfenyl-Amide Intermediate
Nature, 423, 2003
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1PY2
 | | Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2 | | Descriptor: | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION | | Authors: | Thanos, C.D, Randal, M, Wells, J.A. | | Deposit date: | 2003-07-07 | | Release date: | 2004-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
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4BA4
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4B13
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) | | Descriptor: | 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery.
J.Med.Chem., 55, 2012
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4B10
 | | Plasmodium vivax N-myristoyltransferase with a non-hydrolysable co- factor | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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3PVA
 | | PENICILLIN V ACYLASE FROM B. SPHAERICUS | | Descriptor: | PROTEIN (PENICILLIN V ACYLASE) | | Authors: | Suresh, C.G, Pundle, A.V, Rao, K.N, Sivaraman, H, Brannigan, J.A, Mcvey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G. | | Deposit date: | 1998-11-13 | | Release date: | 1999-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members.
Nat.Struct.Biol., 6, 1999
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1NT1
 | | thrombin in complex with selective macrocyclic inhibitor | | Descriptor: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | | Deposit date: | 2003-01-28 | | Release date: | 2003-09-02 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors
Bioorg.Med.Chem.Lett., 13, 2003
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