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3GV9
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AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3QCQ
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BU of 3qcq by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QLL
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BU of 3qll by Molmil
Crystal Structure of RipC from Yersinia pestis
Descriptor: Citrate lyase
Authors:Torres, R, Goulding, C.W.
Deposit date:2011-02-02
Release date:2012-01-11
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into RipC, a putative citrate lyase beta subunit from a Yersinia pestis virulence operon
Acta Crystallogr.,Sect.F, 68, 2012
3GV8
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BU of 3gv8 by Molmil
Human DNA polymerase iota in complex with T template DNA and incoming dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*AP*CP*CP*C)-3', 5'-D(*AP*TP*GP*GP*GP*TP*CP*CP*T)-3', ...
Authors:Kirouac, K.N, Ling, H.
Deposit date:2009-03-30
Release date:2009-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of error-prone replication and stalling at a thymine base by human DNA polymerase iota
Embo J., 28, 2009
2PEK
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BU of 2pek by Molmil
Crystal structure of RbcX point mutant Q29A
Descriptor: ORF134
Authors:Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2007-04-03
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
3GW3
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BU of 3gw3 by Molmil
human UROD mutant K297N
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P.
Deposit date:2009-03-31
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and kinetic characterization of mutant human uroporphyrinogen decarboxylases.
Cell Mol Biol (Noisy-le-grand), 55, 2009
2P5W
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BU of 2p5w by Molmil
Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K.
Deposit date:2007-03-16
Release date:2007-09-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
3GWK
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BU of 3gwk by Molmil
Structure of the homodimeric WXG-100 family protein from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein SAG1039, SULFATE ION
Authors:Poulsen, C, Gries, F, Wilmanns, M, Song, Y.H.
Deposit date:2009-04-01
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
3GZ8
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Cocrystal structure of NUDIX domain of Shewanella oneidensis NrtR complexed with ADP ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MutT/nudix family protein
Authors:Huang, N, Zhang, H.
Deposit date:2009-04-06
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
2P94
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BU of 2p94 by Molmil
Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
Descriptor: 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE, Factor Xa
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
3H0W
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BU of 3h0w by Molmil
Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
3H3J
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BU of 3h3j by Molmil
Crystal structure of lactate dehydrogenase mutant (A85R) from staphylococcus aureus complexed with NAD and pyruvate
Descriptor: GLYCEROL, L-lactate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Ho, M.-C, Almo, S.C, Schramm, V.L.
Deposit date:2009-04-16
Release date:2010-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of lactate dehydrogenase mutant (A85R) from staphylococcus aureus complexed with NAD and pyruvate
To be Published
3H55
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BU of 3h55 by Molmil
Crystal Structure of human alpha-N-acetylgalactosaminidase, Complex with Galactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminidase, ...
Authors:Clark, N.E, Garman, S.C.
Deposit date:2009-04-21
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The 1.9 a structure of human alpha-N-acetylgalactosaminidase: The molecular basis of Schindler and Kanzaki diseases
J.Mol.Biol., 393, 2009
3H3E
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BU of 3h3e by Molmil
Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
Descriptor: ZINC ION, uncharacterized protein Tm1679
Authors:Cooper, D.R, Olekhnovitch, N, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-04-16
Release date:2009-07-14
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
To be Published
2OVY
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BU of 2ovy by Molmil
Crystal structure of the catalytic domain of rat phosphodiesterase 10A
Descriptor: 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2007-02-15
Release date:2007-03-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors
J.Med.Chem., 50, 2007
3Q9Z
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BU of 3q9z by Molmil
Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Ranchio, A, Papinutto, E.
Deposit date:2011-01-10
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
3H6S
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BU of 3h6s by Molmil
Structure of clitocypin - cathepsin V complex
Descriptor: Cathepsin L2, Clitocypin analog, SULFATE ION
Authors:Renko, M, Sabotic, J, Brzin, J, Turk, D.
Deposit date:2009-04-23
Release date:2009-10-20
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
3QCY
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BU of 3qcy by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide
Descriptor: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD8
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BU of 3qd8 by Molmil
Crystal structure of Mycobacterium tuberculosis BfrB
Descriptor: Probable bacterioferritin BfrB
Authors:Khare, G, Gupta, V, Nangpal, P, Gupta, R.K, Sauter, N.K, Tyagi, A.K.
Deposit date:2011-01-18
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ferritin Structure from Mycobacterium tuberculosis: Comparative Study with Homologues Identifies Extended C-Terminus Involved in Ferroxidase Activity
Plos One, 6, 2011
2QSR
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BU of 2qsr by Molmil
Crystal structure of C-terminal domain of transcription-repair coupling factor
Descriptor: Transcription-repair coupling factor
Authors:Ramagopal, U.A, Toro, R, Gilmore, M, Bain, K, Iizuka, M, Wasserman, S, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-31
Release date:2007-09-11
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of C-terminal domain of transcription-repair coupling factor.
To be Published
3Q67
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BU of 3q67 by Molmil
Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Sawaya, M.R, Cascio, D, Balendiran, G.K.
Deposit date:2010-12-30
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
3H94
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BU of 3h94 by Molmil
Crystal structure of the membrane fusion protein CusB from Escherichia coli
Descriptor: Cation efflux system protein cusB, SILVER ION
Authors:Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W.
Deposit date:2009-04-30
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Crystal structure of the membrane fusion protein CusB from Escherichia coli
J.Mol.Biol., 393, 2009
2QQQ
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BU of 2qqq by Molmil
Crystal Structure of Novel Immune-Type Receptor 11 Extracellular Fragment from Ictalurus punctatus
Descriptor: Novel immune-type receptor 11
Authors:Ostrov, D.A, Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Magis, A.T, Bailey, K.M, Litman, G.W.
Deposit date:2007-07-26
Release date:2008-06-10
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A bony fish immunological receptor of the NITR multigene family mediates allogeneic recognition.
Immunity, 29, 2008
3GMU
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BU of 3gmu by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein (BLIP) in Apo Form
Descriptor: AMMONIUM ION, Beta-lactamase inhibitory protein, SULFATE ION
Authors:Strynadka, N.C.J, Gretes, M, James, M.N.G.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
2QTE
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BU of 2qte by Molmil
Crystal Structure of Novel Immune-Type Receptor 11 Extracellular Fragment Mutant N30D
Descriptor: Novel immune-type receptor 11
Authors:Ostrov, D.A, Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Magis, A.T, Bailey, K.M, Litman, G.W.
Deposit date:2007-08-01
Release date:2008-09-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A bony fish immunological receptor of the NITR multigene family mediates allogeneic recognition.
Immunity, 29, 2008

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