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3INO
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BU of 3ino by Molmil
1.95A Resolution Structure of Protective Antigen Domain 4
Descriptor: Protective antigen PA-63
Authors:Lovell, S, Williams, A.S, Anbanandam, A, El-Chami, R, Bann, J.G.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Domain 4 of the anthrax protective antigen maintains structure and binding to the host receptor CMG2 at low pH
Protein Sci., 18, 2009
3IBD
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BU of 3ibd by Molmil
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R.
Deposit date:2009-07-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
3R9F
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BU of 3r9f by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Coenzyme A and Glutamyl sulfamoyl adenosine (ESA)
Descriptor: COENZYME A, MccE protein, O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-25
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R7L
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BU of 3r7l by Molmil
Crystal Structure of PALA-bound Aspartate Transcarbamoylase from Bacillus subtilis
Descriptor: Aspartate carbamoyltransferase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHATE ION
Authors:Harris, K.M, Cockrell, G.M, Puleo, D.E, Kantrowitz, E.R.
Deposit date:2011-03-22
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.585 Å)
Cite:Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis.
J.Mol.Biol., 411, 2011
3RAJ
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BU of 3raj by Molmil
Crystal structure of human CD38 in complex with the Fab fragment of antibody HB7
Descriptor: ADP-ribosyl cyclase 1, heavy chain of the Fab fragment of antibody HB7, light chain of the Fab fragment of antibody HB7
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-03-28
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.044 Å)
Cite:Engineering a novel cytosolic form of CD38 for cyclic ADP-ribose dependent signaling
To be Published
3ICK
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BU of 3ick by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate
Descriptor: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-17
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3R96
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BU of 3r96 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA and AMP
Descriptor: ACETYL COENZYME *A, ADENOSINE MONOPHOSPHATE, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-24
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R9I
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BU of 3r9i by Molmil
2.6A resolution structure of MinD complexed with MinE (12-31) peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD
Authors:Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J.
Deposit date:2011-03-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Cell(Cambridge,Mass.), 146, 2011
3IPH
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BU of 3iph by Molmil
Crystal structure of p38 in complex with a biphenylamide inhibitor
Descriptor: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
Authors:Somers, D.O.
Deposit date:2009-08-17
Release date:2009-11-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
3IDO
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BU of 3ido by Molmil
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with a phosphotyrosine crude mimic HEPES molecule in the active site
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-21
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
3IQQ
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BU of 3iqq by Molmil
X-ray structure of bovine TRTK12-Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, TRTK12 peptide, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-08-20
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography
J.Mol.Biol., 396, 2010
3IDZ
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BU of 3idz by Molmil
Crystal Structure of S378Q mutant TTHA0252 from Thermus thermophilus HB8
Descriptor: CITRATE ANION, Ribonuclease TTHA0252, SULFATE ION, ...
Authors:Ishikawa, H, Nakagawa, N, Kuramitsu, S, Yokoyama, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-07-22
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of S378Q mutant TTHA0252 from Thermus thermophilus HB8
To be Published
3IER
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BU of 3ier by Molmil
Firefly luciferase apo structure (P41 form) with PEG 400 bound
Descriptor: Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
Deposit date:2009-07-23
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IQX
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BU of 3iqx by Molmil
ADP complex of C.therm. Get3 in closed form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Tail-anchored protein targeting factor Get3, ...
Authors:Bozkurt, G, Wild, K, Sinning, I.
Deposit date:2009-08-21
Release date:2009-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insights into tail-anchored protein binding and membrane insertion by Get3.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IRC
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BU of 3irc by Molmil
Crystal structure analysis of dengue-1 envelope protein domain III
Descriptor: ENVELOPE PROTEIN, SULFATE ION
Authors:Nelson, C.A, Kim, T, Warren, J.T, Chruszcz, M, Minor, W, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-21
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure Analysis of the Dengue-1 Envelope Protein Domain III
To be Published
3IF5
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BU of 3if5 by Molmil
Crystal Structure Analysis of Mglu
Descriptor: Salt-tolerant glutaminase
Authors:Yoshimune, K, Shirakihara, Y.
Deposit date:2009-07-24
Release date:2009-08-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris.
Febs J., 277, 2010
3IFJ
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BU of 3ifj by Molmil
Crystal structure of Mtu recA intein, splicing domain
Descriptor: Endonuclease PI-MtuI, ZINC ION
Authors:Van Roey, P, Belfort, M.
Deposit date:2009-07-24
Release date:2009-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selection and structure of hyperactive inteins: peripheral changes relayed to the catalytic center.
J.Mol.Biol., 393, 2009
3PMP
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BU of 3pmp by Molmil
Crystal Structure of Cyclophilin A from Moniliophthora perniciosa in complex with Cyclosporin A
Descriptor: CYCLOSPORIN A, Cyclophilin A
Authors:Monzani, P, Pereira, H.M, Gramacho, K.P, Meirelles, F.V, Oliva, G, Cascardo, J.C.C.
Deposit date:2010-11-17
Release date:2011-11-23
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of Cyclophilin A from Moniliophthora perniciosa
To be Published
3ISE
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BU of 3ise by Molmil
Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A Resolution
Descriptor: Bacterioferritin, FE (III) ION, POTASSIUM ION, ...
Authors:Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
Deposit date:2009-08-25
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3PNL
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BU of 3pnl by Molmil
Crystal Structure of E.coli Dha kinase DhaK-DhaL complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-11-19
Release date:2011-01-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PNW
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BU of 3pnw by Molmil
Crystal Structure of the tudor domain of human TDRD3 in complex with an anti-TDRD3 FAB
Descriptor: FAB heavy chain, FAB light chain, Tudor domain-containing protein 3, ...
Authors:Loppnau, P, Tempel, W, Wernimont, A.K, Lam, R, Ravichandran, M, Adams-Cioaba, M.A, Persson, H, Sidhu, S.S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Cossar, D, Structural Genomics Consortium (SGC)
Deposit date:2010-11-19
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:CDR-H3 Diversity Is Not Required for Antigen Recognition by Synthetic Antibodies.
J.Mol.Biol., 425, 2013
3ITU
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BU of 3itu by Molmil
hPDE2A catalytic domain complexed with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ...
Authors:Pandit, J.
Deposit date:2009-08-28
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IV5
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BU of 3iv5 by Molmil
Crystal structure of Fis bound to 27 bp optimal binding sequence F1
Descriptor: DNA (27-MER), DNA-binding protein fis
Authors:Stella, S, Cascio, D, Johnson, R.C.
Deposit date:2009-08-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The shape of the DNA minor groove directs binding by the DNA-bending protein Fis.
Genes Dev., 24, 2010
3IG7
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BU of 3ig7 by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2
Descriptor: Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
Authors:Pandit, J.
Deposit date:2009-07-27
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
3IX1
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BU of 3ix1 by Molmil
Periplasmic N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein from Bacillus halodurans
Descriptor: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide, N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein
Authors:Bale, S, Rajashankar, K.R, Perry, K, Begley, T.P, Ealick, S.E.
Deposit date:2009-09-03
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:HMP Binding Protein ThiY and HMP-P Synthase THI5 Are Structural Homologues.
Biochemistry, 49, 2010

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