1PTA
 
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2G1Y
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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1DWL
 | | The Ferredoxin-Cytochrome complex using heteronuclear NMR and docking simulation | | Descriptor: | CYTOCHROME C553, FERREDOXIN I, HEME C, ... | | Authors: | Morelli, X, Guerlesquin, F, Czjzek, M, Palma, P.N. | | Deposit date: | 1999-12-08 | | Release date: | 1999-12-10 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | Heteronuclear NMR and Soft Docking: An Experimental Approach for a Structural Model of the Cytochrome C553-Ferredoxin Complex
Biochemistry, 39, 2000
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2G1R
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-14 | | Release date: | 2006-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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1DLT
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND CATECHOL | | Descriptor: | CATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | | Authors: | Vetting, M.W, Ohlendorf, D.H. | | Deposit date: | 1999-12-12 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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2Q1H
 | | Ancestral Corticoid Receptor in Complex with Aldosterone | | Descriptor: | ALDOSTERONE, AncCR, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-24 | | Release date: | 2007-09-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
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2FVQ
 | | A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus | | Descriptor: | 5'-D(*CP*TP*TP*TP*CP*AP*TP*TP*AP*AP*TP*GP*AP*AP*AP*G)-3', reverse transcriptase | | Authors: | Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M. | | Deposit date: | 2006-01-31 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
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1DMT
 | | STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | Authors: | Oefner, C, D'Arcy, A, Hennig, M, Winkler, F.K, Dale, G.E. | | Deposit date: | 1999-12-15 | | Release date: | 2000-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon.
J.Mol.Biol., 296, 2000
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3NW9
 | | Rat COMT in complex with a methylpurin-containing bisubstrate inhibitor | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-07-09 | | Release date: | 2011-03-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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7SGM
 | | Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited state proton transfer and in complex with its antigen, CD40L | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c8* Fab heavy chain, ... | | Authors: | Henderson, J.N, Mills, J.H, Simmons, C.R. | | Deposit date: | 2021-10-06 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment.
J.Mol.Biol., 434, 2022
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2FVP
 | | A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus | | Descriptor: | 5'-D(*TP*TP*TP*CP*AP*TP*TP*GP*CP*AP*AP*TP*GP*AP*AP*A)-3', Reverse transcriptase | | Authors: | Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M. | | Deposit date: | 2006-01-31 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
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1EIZ
 | | FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE | | Descriptor: | FTSJ, S-ADENOSYLMETHIONINE | | Authors: | Bugl, H, Fauman, E.B, Staker, B.L, Zheng, F, Kushner, S.R, Saper, M.A, Bardwell, J.C.A, Jakob, U. | | Deposit date: | 2000-02-29 | | Release date: | 2000-08-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | RNA methylation under heat shock control.
Mol.Cell, 6, 2000
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2FVS
 | | A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus | | Descriptor: | 5'-D(*CP*AP*CP*AP*AP*TP*GP*AP*TP*CP*AP*TP*TP*GP*TP*G)-3', reverse transcriptase | | Authors: | Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M. | | Deposit date: | 2006-01-31 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
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1ECW
 | | CRYSTAL STRUCTURE OF SIMIAN IMMUNODEFICIENCY VIRUS MATRIX ANTIGEN (SIV MA) AT 293K. | | Descriptor: | GAG POLYPROTEIN, ISOPROPYL ALCOHOL | | Authors: | Rao, Z, Belyaev, A, Fry, E, Roy, P, Jones, I.M, Stuart, D.I. | | Deposit date: | 2000-01-26 | | Release date: | 2000-02-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of SIV matrix antigen and implications for virus assembly.
Nature, 378, 1995
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1EOT
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2G27
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | Descriptor: | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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2G1O
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2G26
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | Descriptor: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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1PFM
 | | PF4-M2 CHIMERIC MUTANT WITH THE FIRST 10 N-TERMINAL RESIDUES OF R-PF4 REPLACED BY THE N-TERMINAL RESIDUES OF THE IL8 SEQUENCE. MODELS 1-15 OF A 27-MODEL SET. | | Descriptor: | PF4-M2 CHIMERA | | Authors: | Mayo, K.H, Roongta, V, Ilyina, E, Milius, R, Barker, S, Quinlan, C, La Rosa, G, Daly, T.J. | | Deposit date: | 1995-07-18 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the 32-kDa platelet factor 4 ELR-motif N-terminal chimera: a symmetric tetramer.
Biochemistry, 34, 1995
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1PFN
 | | PF4-M2 CHIMERIC MUTANT WITH THE FIRST 10 N-TERMINAL RESIDUES OF R-PF4 REPLACED BY THE N-TERMINAL RESIDUES OF THE IL8 SEQUENCE. MODELS 16-27 OF A 27-MODEL SET. | | Descriptor: | PF4-M2 CHIMERA | | Authors: | Mayo, K.H, Roongta, V, Ilyina, E, Milius, R, Barker, S, Quinlan, C, La Rosa, G, Daly, T.J. | | Deposit date: | 1995-07-18 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the 32-kDa platelet factor 4 ELR-motif N-terminal chimera: a symmetric tetramer.
Biochemistry, 34, 1995
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2FS4
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | Authors: | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | | Deposit date: | 2006-01-20 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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6ST7
 | | Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp | | Descriptor: | ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor | | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
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2G1S
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | | Descriptor: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-14 | | Release date: | 2006-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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1BVK
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4O4I
 | | Tubulin-Laulimalide-Epothilone A complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | | Deposit date: | 2013-12-18 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
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