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2P8E
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Crystal structure of the serine/threonine phosphatase domain of human PPM1B
Descriptor: MAGNESIUM ION, PPM1B beta isoform variant 6
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-22
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2OQV
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Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine
Descriptor: (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D.
Deposit date:2007-02-01
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2P2H
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Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
Descriptor: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P50
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BU of 2p50 by Molmil
Crystal structure of N-acetyl-D-Glucosamine-6-Phosphate deacetylase liganded with Zn
Descriptor: N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Hall, R.S, Raushel, F.M, Almo, S.C.
Deposit date:2007-03-14
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Diversity within the Mononuclear and Binuclear Active Sites of N-Acetyl-d-glucosamine-6-phosphate Deacetylase.
Biochemistry, 46, 2007
2QCU
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BU of 2qcu by Molmil
Crystal structure of Glycerol-3-phosphate Dehydrogenase from Escherichia coli
Descriptor: 1,2-ETHANEDIOL, Aerobic glycerol-3-phosphate dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yeh, J.I, Chinte, U, Du, S.
Deposit date:2007-06-19
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2QEJ
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BU of 2qej by Molmil
Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Ramsland, P.A, Willoughby, N, Trist, H.M, Farrugia, W, Hogarth, P.M, Fraser, J.D, Wines, B.D.
Deposit date:2007-06-26
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for evasion of IgA immunity by Staphylococcus aureus revealed in the complex of SSL7 with Fc of human IgA1
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QOE
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Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor
Descriptor: (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-07-20
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-18
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2QS4
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Crystal structure of the GluR5 ligand binding core dimer in complex with LY466195 at 1.58 Angstroms resolution
Descriptor: (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, AMMONIUM ION, GLYCEROL, ...
Authors:Alushin, G.M, Jane, D.E, Mayer, M.L.
Deposit date:2007-07-30
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Binding site and ligand flexibility revealed by high resolution crystal structures of GluK1 competitive antagonists.
Neuropharmacology, 60, 2011
2QO3
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Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ACETATE ION, ...
Authors:Khosla, C, Cane, E.D, Tang, Y, Chen, Y.A, Kim, C.Y.
Deposit date:2007-07-19
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and mechanistic analysis of protein interactions in module 3 of the 6-deoxyerythronolide B synthase
Chem.Biol., 14, 2007
2QUO
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BU of 2quo by Molmil
Crystal Structure of C terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Heat-labile enterotoxin B chain, SULFATE ION
Authors:Betts, L, Van Itallie, C.M.
Deposit date:2007-08-06
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the claudin-binding domain of Clostridium perfringens enterotoxin
J.Biol.Chem., 283, 2008
2QM8
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MeaB, A Bacterial Homolog of MMAA, in the Nucleotide Free Form
Descriptor: GTPase/ATPase, PHOSPHATE ION
Authors:Hubbard, P.A, Padovani, D, Labunska, T, Mahlstedt, S.A, Banerjee, R, Drennan, C.L.
Deposit date:2007-07-14
Release date:2007-08-28
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure and mutagenesis of the metallochaperone MeaB: insight into the causes of methylmalonic aciduria.
J.Biol.Chem., 282, 2007
2QOM
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BU of 2qom by Molmil
The crystal structure of the E.coli EspP autotransporter Beta-domain.
Descriptor: Serine protease espP
Authors:Barnard, T.J, Dautin, N, Lukacik, P, Bernstein, H.D, Buchanan, S.K.
Deposit date:2007-07-20
Release date:2007-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Autotransporter structure reveals intra-barrel cleavage followed by conformational changes.
Nat.Struct.Mol.Biol., 14, 2007
2QT9
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BU of 2qt9 by Molmil
Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
Descriptor: (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2R1U
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BU of 2r1u by Molmil
DJ-1 activation by catechol quinone modification
Descriptor: Protein DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DJ-1 activation by catechol quinone modification
To be Published
2R4J
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Crystal structure of Escherichia coli SeMet substituted Glycerol-3-phosphate Dehydrogenase in complex with DHAP
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Aerobic glycerol-3-phosphate dehydrogenase, ...
Authors:Yeh, J.I, Du, S, Chinte, U.
Deposit date:2007-08-31
Release date:2008-06-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2QBW
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BU of 2qbw by Molmil
The crystal structure of PDZ-Fibronectin fusion protein
Descriptor: PDZ-Fibronectin fusion protein, Polypeptide
Authors:Huang, J, Makabe, K, Koide, A, Koide, S.
Deposit date:2007-06-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of protein function leaps by directed domain interface evolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3KWF
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BU of 3kwf by Molmil
human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one
Descriptor: (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
Authors:Hennig, M, Stihle, M, Thoma, R.
Deposit date:2009-12-01
Release date:2010-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
4OC4
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BU of 4oc4 by Molmil
X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CPIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C.
Deposit date:2014-01-08
Release date:2014-05-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
3KM8
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BU of 3km8 by Molmil
Crystal structuore of adenosine deaminase from mus musculus complexed with 9-deazainosine
Descriptor: 9-DEAZAINOSINE, Adenosine deaminase, ZINC ION
Authors:Fan, X, Gao, Y.
Deposit date:2009-11-10
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of Adenosine Deaminase from Mouse: An Experimental and Theoretical Study
To be Published
4ORL
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Crystal structure of a DUF4783 family protein (BACOVA_04304) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-02-11
Release date:2014-03-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_04304) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution
To be published
3KYF
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BU of 3kyf by Molmil
Crystal structure of P4397 complexed with c-di-GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Putative uncharacterized protein
Authors:Ryu, K.S, Ko, J, Kim, H, Choi, B.S.
Deposit date:2009-12-06
Release date:2010-04-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of PP4397 Reveals the Molecular Basis for Different c-di-GMP Binding Modes by Pilz Domain Proteins.
J.Mol.Biol., 398, 2010
4OBI
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Crystal structure of a DUF1312 family protein (EF3258) from Enterococcus faecalis V583 at 1.73 A resolution
Descriptor: TETRAETHYLENE GLYCOL, Uncharacterized protein, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-07
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Crystal structure of a hypothetical protein (EF3258) from Enterococcus faecalis V583 at 1.73 A resolution
To be published
4OGF
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Crystal Structure of Human DJ-1 with glyoxylate as substrate analog
Descriptor: Protein DJ-1
Authors:Choi, D, Kim, J, Ryu, K.-S, Park, C.
Deposit date:2014-01-16
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures.
Febs J., 281, 2014
4OGZ
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Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Putative alpha-galactosidase/melibiase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-16
Release date:2014-02-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
To be published

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