2PR3
 
 | | Factor XA inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-05-03 | | Release date: | 2007-08-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69, 2007
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4EC4
 | | XIAP-BIR3 in complex with a potent divalent Smac mimetic | | Descriptor: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 4, ... | | Authors: | Mastrangelo, E, Cossu, F, Bolognesi, M, Milani, M. | | Deposit date: | 2012-03-26 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic.
Plos One, 7, 2012
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4OH9
 | | Crystal Structure of the human MST2 SARAH homodimer | | Descriptor: | Serine/threonine-protein kinase 3 | | Authors: | Hwang, E, Cheong, H.-K, Ul Mushtaq, A, Kim, H.-Y, Yeo, K.J, Kim, E, Lee, W.C, Hwang, K.Y, Cheong, C, Jeon, Y.H. | | Deposit date: | 2014-01-17 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Structural basis of the heterodimerization of the MST and RASSF SARAH domains in the Hippo signalling pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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3WAD
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3WAG
 | | Crystal structure of glycosyltransferase VinC in complex with DTDP | | Descriptor: | Glycosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Nango, E, Minami, A, Kumasaka, T, Eguchi, T. | | Deposit date: | 2013-05-02 | | Release date: | 2014-06-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Glycosyltransferase VinC Involved in the Biosynthesis of Vicenistatin
To be Published
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2W3K
 | | Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1 | | Descriptor: | (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | | Deposit date: | 2008-11-12 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action.
Bioorg.Med.Chem., 17, 2009
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3SMZ
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2FPU
 | | Crystal Structure of the N-terminal domain of E.coli HisB- Complex with histidinol | | Descriptor: | CHLORIDE ION, Histidine biosynthesis bifunctional protein hisB, L-histidinol, ... | | Authors: | Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-01-17 | | Release date: | 2006-09-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
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2FPX
 | | Crystal Structure of the N-terminal Domain of E.coli HisB- Sulfate complex. | | Descriptor: | Histidine biosynthesis bifunctional protein hisB, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-01-17 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
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2FPW
 | | Crystal Structure of the N-terminal Domain of E.coli HisB- Phosphoaspartate intermediate. | | Descriptor: | CALCIUM ION, Histidine biosynthesis bifunctional protein hisB, ZINC ION | | Authors: | Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-01-17 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
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2FPS
 | | Crystal structure of the N-terminal domain of E.coli HisB- Apo Ca model. | | Descriptor: | CALCIUM ION, CHLORIDE ION, Histidine biosynthesis bifunctional protein hisB, ... | | Authors: | Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-01-17 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
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2FPR
 | | Crystal structure the N-terminal domain of E. coli HisB. Apo Mg model. | | Descriptor: | BROMIDE ION, Histidine biosynthesis bifunctional protein hisB, MAGNESIUM ION, ... | | Authors: | Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-01-17 | | Release date: | 2006-09-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
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3CM7
 | | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | | Descriptor: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Mastrangelo, E, Cossu, F, Milani, M. | | Deposit date: | 2008-03-21 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
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3BFP
 | | Crystal Structure of apo-PglD from Campylobacter jejuni | | Descriptor: | Acetyltransferase, CITRATE ANION | | Authors: | Rangarajan, E.S, Watson, D.C, Leclerc, S, Proteau, A, Cygler, M, Matte, A, Young, N.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2007-11-22 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and Active Site Residues of PglD, an N-Acetyltransferase from the Bacillosamine Synthetic Pathway Required for N-Glycan Synthesis in Campylobacter jejuni.
Biochemistry, 47, 2008
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3ASJ
 | | Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor | | Descriptor: | (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid, ... | | Authors: | Nango, E, Kumasaka, T, Eguchi, T. | | Deposit date: | 2010-12-13 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Thermus thermophilus homoisocitrate dehydrogenase in complex with a designed inhibitor
J.Biochem., 150, 2011
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2FLO
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2D2X
 | | Crystal structure of 2-deoxy-scyllo-inosose synthase | | Descriptor: | 2-deoxy-scyllo-inosose synthase, COBALT (II) ION, GLYCEROL, ... | | Authors: | Nango, E, Kumasaka, T, Tanaka, N, Kakinuma, K, Eguchi, T. | | Deposit date: | 2005-09-20 | | Release date: | 2006-10-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
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1FAK
 | | HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT | | Descriptor: | CALCIUM ION, PROTEIN (5L15), PROTEIN (BLOOD COAGULATION FACTOR VIIA), ... | | Authors: | Zhang, E, St Charles, R, Tulinsky, A. | | Deposit date: | 1998-12-28 | | Release date: | 1999-12-03 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of extracellular tissue factor complexed with factor VIIa inhibited with a BPTI mutant.
J.Mol.Biol., 285, 1999
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4OGD
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2OXT
 | | Crystal structure of Meaban virus nucleoside-2'-O-methyltransferase | | Descriptor: | NUCLEOSIDE-2'-O-METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | | Authors: | Mastrangelo, E, Milani, M, Bollati, M, Bolognesi, M. | | Deposit date: | 2007-02-21 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural bases for substrate recognition and activity in Meaban virus nucleoside-2'-O-methyltransferase
Protein Sci., 16, 2007
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2GRU
 | | Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+ | | Descriptor: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-deoxy-scyllo-inosose synthase, ... | | Authors: | Nango, E, Kumasaka, T. | | Deposit date: | 2006-04-25 | | Release date: | 2007-05-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
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2ZTW
 | | Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ | | Descriptor: | (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Nango, E, Kumasaka, T, Eguchi, T. | | Deposit date: | 2008-10-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of 3-isopropylmalate dehydrogenase in complex with NAD(+) and a designed inhibitor
Bioorg.Med.Chem., 17, 2009
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2VHE
 | | PglD-CoA complex: An acetyl transferase from Campylobacter jejuni | | Descriptor: | ACETYLTRANSFERASE, COENZYME A, SULFATE ION | | Authors: | Rangarajan, E.S, Ruane, K.M, Sulea, T, Watson, D.C, Proteau, A, Leclerc, S, Cygler, M, Matte, A, Young, N.M. | | Deposit date: | 2007-11-21 | | Release date: | 2008-01-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Active Site Residues of Pgld, an N-Acetyltransferase from the Bacillosamine Synthetic Pathway Required for N-Glycan Synthesis in Campylobacter Jejuni
Biochemistry, 47, 2008
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1ELS
 | | CATALYTIC METAL ION BINDING IN ENOLASE: THE CRYSTAL STRUCTURE OF ENOLASE-MN2+-PHOSPHONOACETOHYDROXAMATE COMPLEX AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | ENOLASE, MANGANESE (II) ION, PHOSPHONOACETOHYDROXAMIC ACID | | Authors: | Zhang, E, Hatada, M, Brewer, J.M, Lebioda, L. | | Deposit date: | 1994-04-05 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catalytic metal ion binding in enolase: the crystal structure of an enolase-Mn2+-phosphonoacetohydroxamate complex at 2.4-A resolution.
Biochemistry, 33, 1994
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2HXW
 | | Crystal Structure of Peb3 from Campylobacter jejuni | | Descriptor: | CITRATE ANION, Major antigenic peptide PEB3 | | Authors: | Rangarajan, E.S, Bhatia, S, Watson, D.C, Munger, C, Cygler, M, Matte, A, Young, N.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2006-08-04 | | Release date: | 2007-05-01 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural context for protein N-glycosylation in bacteria: The structure of PEB3, an adhesin from Campylobacter jejuni.
Protein Sci., 16, 2007
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