3T6N
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2VH0
| Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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3SW9
| GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, SINEFUNGIN, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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2VH6
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E. | Deposit date: | 2007-11-19 | Release date: | 2008-12-16 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs. Bioorg.Med.Chem.Lett., 18, 2008
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2V6C
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2UWO
| Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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2UUK
| Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2UWL
| Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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2V58
| CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | Descriptor: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-10-02 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
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2VJ1
| A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters | Descriptor: | 4-(DIMETHYLAMINO)BENZOIC ACID, BENZOIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2007-12-06 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters. Chem.Biol., 15, 2008
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2V5A
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2V6N
| Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(DIMETHYLAMINO)BENZOIC ACID, REPLICASE POLYPROTEIN 1AB, ... | Authors: | Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2007-07-19 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters. Chem.Biol., 15, 2008
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2W9T
| Staphylococcus aureus S1:DHFR | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-28 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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2W1L
| THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 0.979 a wavelength 991 images data | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | Deposit date: | 2008-10-17 | Release date: | 2008-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments. Acta Crystallogr.,Sect.D, 64, 2008
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2W2G
| Human SARS coronavirus unique domain | Descriptor: | NON-STRUCTURAL PROTEIN 3, SULFATE ION | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R. | Deposit date: | 2008-10-30 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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3SWC
| GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3U7A
| AL-09 Y32F Y96F | Descriptor: | Amyloidogenic immunoglobulin light chain protein AL-09 Y32F Y96F, variable domain | Authors: | DiCostanzo, A.C, Thompson, J.R, Ramirez-Alvarado, M. | Deposit date: | 2011-10-13 | Release date: | 2012-07-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains To be Published
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3TIP
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3U12
| The pleckstrin homology (PH) domain of USP37 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | Authors: | Dong, A, Nair, U.B, Wernimont, A, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-29 | Release date: | 2011-11-09 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The pleckstrin homology (PH) domain of USP37 To be Published
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2V7Q
| The structure of F1-ATPase inhibited by I1-60HIS, a monomeric form of the inhibitor protein, IF1. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE DELTA CHAIN, ... | Authors: | Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2007-07-31 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How the Regulatory Protein, If1, Inhibits F1- ATPase from Bovine Mitochondria. Proc.Natl.Acad.Sci.USA, 104, 2007
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3TXD
| HEWL co-crystallization with carboplatin in aqueous media with glycerol as the cryoprotectant | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | Deposit date: | 2011-09-23 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals. J.Appl.Crystallogr., 46, 2013
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2VKI
| Structure of the PDK1 PH domain K465E mutant | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-12-19 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance. Mol.Cell.Biol., 28, 2008
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2W1X
| The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | Deposit date: | 2008-10-21 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments. Acta Crystallogr.,Sect.D, 64, 2008
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2W6Z
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2W6O
| Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment | Descriptor: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-12-18 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
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