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3ROP
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Crystal structure of human CD38 in complex with compound CZ-50b
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3RS7
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BU of 3rs7 by Molmil
H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Mattos, C, Buhrman, G, Kearney, B.
Deposit date:2011-05-02
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3QZT
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BU of 3qzt by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
Descriptor: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3R2H
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BU of 3r2h by Molmil
1.7 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 10.5)
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Bacterioferritin, SODIUM ION
Authors:Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
3R2N
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BU of 3r2n by Molmil
Crystal structure of cytidine deaminase from Mycobacterium leprae
Descriptor: 1,2-ETHANEDIOL, Cytidine deaminase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-14
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RAW
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BU of 3raw by Molmil
Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Dual specificity protein kinase CLK3
Authors:Filippakopoulos, P, Fedorov, O, King, O, Debdab, M, Carreaux, F, Renault, S, Bullock, A, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Meijer, L, Bazureau, J.P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-03-28
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of human CDC-like kinase 3 isoform with a benzo-dioxol ligand
To be Published
3R95
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BU of 3r95 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, 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 (1.6 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
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
3R9T
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BU of 3r9t by Molmil
Structure of EchA1_1 from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
Descriptor: BENZOIC ACID, EchA1_1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
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
3RCW
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BU of 3rcw by Molmil
Crystal Structure of the bromodomain of human BRD1
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, ACETATE ION, ...
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Felletar, I, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-03-31
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3RDE
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BU of 3rde by Molmil
Crystal structure of the catalytic domain of porcine leukocyte 12-lipoxygenase
Descriptor: 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid, Arachidonate 12-lipoxygenase, 12S-type, ...
Authors:Funk, M.O, Xu, S, Marnett, L.J, Mueser, T.C.
Deposit date:2011-04-01
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Crystal structure of 12-lipoxygenase catalytic-domain-inhibitor complex identifies a substrate-binding channel for catalysis.
Structure, 20, 2012
3RGQ
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BU of 3rgq by Molmil
Crystal Structure of PTPMT1 in complex with PI(5)P
Descriptor: (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, Protein-tyrosine phosphatase mitochondrial 1
Authors:Xiao, J, Engel, J.L.
Deposit date:2011-04-08
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional analysis of PTPMT1, a phosphatase required for cardiolipin synthesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RFQ
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BU of 3rfq by Molmil
Crystal structure of Pterin-4-alpha-carbinolamine dehydratase MoaB2 from Mycobacterium marinum
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pterin-4-alpha-carbinolamine dehydratase MoaB2, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-06
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RGC
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BU of 3rgc by Molmil
The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally related SurA-like chaperones in the human pathogen Campylobacter jejuni
Descriptor: Possible periplasmic protein
Authors:Kale, A, Phansopa, C, Suwannachart, C, Craven, C.J, Rafferty, J, Kelly, D.J.
Deposit date:2011-04-08
Release date:2011-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally related SurA-like chaperones in the human pathogen Campylobacter jejuni
To be Published
3T7K
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BU of 3t7k by Molmil
Complex structure of Rtt107p and phosphorylated histone H2A
Descriptor: Histone H2A.1, Regulator of Ty1 transposition protein 107
Authors:Li, X, Li, F, Wu, J, Shi, Y.
Deposit date:2011-07-30
Release date:2012-02-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.028 Å)
Cite:Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair
J.Biol.Chem., 287, 2012
3SRQ
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BU of 3srq by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SPV
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BU of 3spv by Molmil
Crystal structure of a peptide-HLA complex
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2011-07-04
Release date:2012-07-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of a peptide-HLA complex
To be Published
3SSM
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BU of 3ssm by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 1
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SVV
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BU of 3svv by Molmil
Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9
Descriptor: N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Garske, A.L, Peters, U, Cortesi, A, Perez, J, Shokat, K.M.
Deposit date:2011-07-12
Release date:2011-08-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Chemical genetic strategy for targeting protein kinases based on covalent complementarity.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SWT
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BU of 3swt by Molmil
Crystal Structure of the Taurine catabolism dioxygenase, TauD from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-14
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3T0M
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BU of 3t0m by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Thiel, P, Ottmann, C.
Deposit date:2011-07-20
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3T47
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BU of 3t47 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.3 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T4C
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BU of 3t4c by Molmil
Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Burkholderia ambifaria
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase 1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3T52
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BU of 3t52 by Molmil
L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
Descriptor: ACETATE ION, Arylesterase, CHLORIDE ION, ...
Authors:Kazlauskas, R.J, Yin, T, Purpero, V.M.
Deposit date:2011-07-26
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
To be Published

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PDB entries from 2024-07-17

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