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4YJH
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Crystal structure of DAAO(Y228L/R283G) variant (R-2-phenylpyrrolidine binding form)
Descriptor: (2R)-2-phenylpyrrolidine, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Nakano, S, Yasukawa, K, Kawahara, N, Ishitsubo, E, Tokiwa, H, Asano, Y.
Deposit date:2015-03-03
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of DAAO variant
To Be Published
1FPZ
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CRYSTAL STRUCTURE ANALYSIS OF KINASE ASSOCIATED PHOSPHATASE (KAP) WITH A SUBSTITUTION OF THE CATALYTIC SITE CYSTEINE (CYS140) TO A SERINE
Descriptor: CYCLIN-DEPENDENT KINASE INHIBITOR 3, SULFATE ION
Authors:Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D.
Deposit date:2000-09-01
Release date:2001-05-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
4D4L
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human PFKFB3 in complex with a pyrrolopyrimidone compound
Descriptor: 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
2V9I
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BU of 2v9i by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT E192A- K248W-L274stop)
Descriptor: 1,2-ETHANEDIOL, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-23
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
6HKB
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BU of 6hkb by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Descriptor: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
1HJT
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BU of 1hjt by Molmil
SPERM WHALE MYOGLOBIN (FERROUS, NITRIC OXIDE BOUND)
Descriptor: MYOGLOBIN, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Brucker, E.A, Phillips Jr, G.N.
Deposit date:1997-06-24
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nitric oxide myoglobin: crystal structure and analysis of ligand geometry.
Proteins, 30, 1998
1BO4
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BU of 1bo4 by Molmil
CRYSTAL STRUCTURE OF A GCN5-RELATED N-ACETYLTRANSFERASE: SERRATIA MARESCENS AMINOGLYCOSIDE 3-N-ACETYLTRANSFERASE
Descriptor: COENZYME A, PROTEIN (SERRATIA MARCESCENS AMINOGLYCOSIDE-3-N-ACETYLTRANSFERASE), SPERMIDINE
Authors:Wolf, E, Vassilev, A, Makino, Y, Sali, A, Nakatani, Y, Burley, S.K.
Deposit date:1998-08-08
Release date:1998-10-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a GCN5-related N-acetyltransferase: Serratia marcescens aminoglycoside 3-N-acetyltransferase.
Cell(Cambridge,Mass.), 94, 1998
2NSP
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BU of 2nsp by Molmil
Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide I
Descriptor: Pectinesterase A, methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-methyl alpha-D-galactopyranuronate
Authors:Fries, M, Brocklehurst, K, Shevchik, V.E, Pickersgill, R.W.
Deposit date:2006-11-06
Release date:2007-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of the activity of the phytopathogen pectin methylesterase.
Embo J., 26, 2007
1BL7
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BU of 1bl7 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB220025
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, PROTEIN (MAP KINASE P38)
Authors:Wang, Z, Canagarajah, B.J, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-07-23
Release date:1999-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
2IZS
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BU of 2izs by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
2NT8
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BU of 2nt8 by Molmil
ATP bound at the active site of a PduO type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase, GLYCEROL, ...
Authors:St-Maurice, M, Mera, P.E, Taranto, M.P, Sesma, F, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2006-11-07
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural characterization of the active site of the PduO-type ATP:Co(I)rrinoid adenosyltransferase from Lactobacillus reuteri.
J.Biol.Chem., 282, 2007
3N0T
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BU of 3n0t by Molmil
Human dipeptidil peptidase DPP7 complexed with inhibitor GSK237826A
Descriptor: (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine, Dipeptidyl peptidase 2
Authors:Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Crombet, L, Cossar, D, Pagannon, S, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hassell, A, Shewchuk, L, Haffner, C, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2010-05-14
Release date:2010-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Human dipeptidyl peptidase DPP7
To be Published
3N29
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BU of 3n29 by Molmil
Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni
Descriptor: Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ...
Authors:Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
Deposit date:2010-05-17
Release date:2010-06-09
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
2CA5
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BU of 2ca5 by Molmil
MxiH needle protein of Shigella Flexneri (monomeric form, residues 1- 78)
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, MXIH, ...
Authors:Deane, J.E, Roversi, P, Cordes, F.S, Johnson, S, Kenjale, R, Picking, W.L, Picking, W.D, Blocker, A.J, Lea, S.M.
Deposit date:2005-12-16
Release date:2006-08-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Model of a Type III Secretion System Needle: Implications for Host-Cell Sensing
Proc.Natl.Acad.Sci.USA, 103, 2006
2NTT
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BU of 2ntt by Molmil
Crystal Structure of SEK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K
Authors:Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
Deposit date:2006-11-08
Release date:2007-06-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
2O84
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BU of 2o84 by Molmil
Crystal structure of K206E mutant of N-lobe human transferrin
Descriptor: CARBONATE ION, FE (III) ION, POTASSIUM ION, ...
Authors:Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N.
Deposit date:2006-12-12
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin.
Acta Crystallogr.,Sect.D, 63, 2007
2C6R
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BU of 2c6r by Molmil
FE-SOAKED CRYSTAL STRUCTURE OF THE DPS92 FROM DEINOCOCCUS RADIODURANS
Descriptor: CHLORIDE ION, DNA-BINDING STRESS RESPONSE PROTEIN, DPS FAMILY, ...
Authors:Cuypers, M.G, Romao, C.V, Mitchell, E, Mcsweeney, S.
Deposit date:2005-11-11
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Dps2 from Deinococcus Radiodurans Reveals an Unusual Pore Profile with a Non-Specific Metal Binding Site.
J.Mol.Biol., 371, 2007
2V9F
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BU of 2v9f by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT E192A- K248W-A273S)
Descriptor: ACETATE ION, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-23
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
4KWS
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BU of 4kws by Molmil
Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg and glycerol
Descriptor: CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2013-05-24
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg and glycerol
To be Published
6A76
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BU of 6a76 by Molmil
Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1
Descriptor: GLYCEROL, Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, ...
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
2VD9
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BU of 2vd9 by Molmil
The crystal structure of alanine racemase from Bacillus anthracis (BA0252) with bound L-Ala-P
Descriptor: (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID, ALANINE RACEMASE, CHLORIDE ION, ...
Authors:Au, K, Ren, J, Walter, T.S, Harlos, K, Nettleship, J.E, Owens, R.J, Stuart, D.I, Esnouf, R.M, Oxford Protein Production Facility (OPPF), Structural Proteomics in Europe (SPINE)
Deposit date:2007-10-01
Release date:2008-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of an Alanine Racemase from Bacillus Anthracis (Ba0252) in the Presence and Absence of (R)-1-Aminoethylphosphonic Acid (L-Ala-P).
Acta Crystallogr.,Sect.F, 64, 2008
1RIH
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BU of 1rih by Molmil
Crystal Structure of Fab 14F7, a unique anti-tumor antibody specific for N-glycolyl GM3
Descriptor: heavy chain of antibody 14F7, light chain of antibody 14F7
Authors:Krengel, U, Olsson, L.-L, Martinez, C, Talavera, A, Rojas, G, Mier, E, Angstrom, J, Moreno, E.
Deposit date:2003-11-17
Release date:2004-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Molecular Interactions of a Unique Antitumor Antibody Specific for N-Glycolyl GM3.
J.Biol.Chem., 279, 2004
1OUY
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The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
Descriptor: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-25
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1W9M
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BU of 1w9m by Molmil
AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal
Descriptor: FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER
Authors:Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F.
Deposit date:2004-10-14
Release date:2005-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution
Acta Crystallogr.,Sect.D, 64, 2008
2IJL
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BU of 2ijl by Molmil
The structure of a putative ModE from Agrobacterium tumefaciens.
Descriptor: 1,2-ETHANEDIOL, Molybdenum-binding transcriptional repressor, SULFATE ION
Authors:Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-09-29
Release date:2006-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of a putative ModE from Agrobacterium tumefaciens.
To be Published

226707

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