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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
3IU9
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BU of 3iu9 by Molmil
M. tuberculosis methionine aminopeptidase with Ni inhibitor T07
Descriptor: 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine, CHLORIDE ION, Methionine aminopeptidase, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2009-08-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase
J.Med.Chem., 53, 2010
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
3IVD
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BU of 3ivd by Molmil
Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Uridine
Descriptor: CHLORIDE ION, FE (III) ION, MANGANESE (II) ION, ...
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-31
Release date:2009-09-29
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Uridine
To be Published
3IWO
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BU of 3iwo by Molmil
X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution
Descriptor: Beta-lactamase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Shoichet, B.K, Thomas, V.L.
Deposit date:2009-09-03
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
3IXG
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BU of 3ixg by Molmil
X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase
Authors:Shoichet, B.K, Thomas, V.L.
Deposit date:2009-09-04
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
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
3I78
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BU of 3i78 by Molmil
35/99/170/186/220-loops of FXa in SGT
Descriptor: BENZAMIDINE, SODIUM ION, SULFATE ION, ...
Authors:Page, M.J, Di Cera, E.
Deposit date:2009-07-08
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold.
J.Mol.Biol., 399, 2010
3I7Y
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BU of 3i7y by Molmil
High pressure structure of I106A variant of RNase A (0.48 GPa)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic
Authors:Lewinski, K, Kurpiewska, K, Dziubek, K, Katrusiak, A, Font, J, Ribo, M, Vilanova, M.
Deposit date:2009-07-09
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography
Chem.Phys., 468, 2016
3I1Y
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BU of 3i1y by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I6J
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BU of 3i6j by Molmil
Ribonuclease A by Classical hanging drop method after high X-Ray dose on ESRF ID14-2 beamline
Descriptor: CHLORIDE ION, Ribonuclease pancreatic
Authors:Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
Deposit date:2009-07-07
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3HMH
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BU of 3hmh by Molmil
Crystal structure of the second bromodomain of human TBP-associated factor RNA polymerase 1-like (TAF1L)
Descriptor: Transcription initiation factor TFIID 210 kDa subunit
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Zhang, Y, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3HMV
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BU of 3hmv by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor
Descriptor: (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
3HND
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BU of 3hnd by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP and substrate GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3HOB
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BU of 3hob by Molmil
Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor
Descriptor: Coagulation factor VIII
Authors:Liu, Z, Yuan, C.
Deposit date:2009-06-01
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Trp2313-His2315 of factor VIII C2 domain is involved in membrane binding: structure of a complex between the C2 domain and an inhibitor of membrane binding.
J.Biol.Chem., 285, 2010
3I59
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BU of 3i59 by Molmil
Crystal structure of MtbCRP in complex with N6-cAMP
Descriptor: (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ...
Authors:Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-07-03
Release date:2009-09-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
3I5O
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BU of 3i5o by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with cellopentaose
Descriptor: Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2009-07-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold.
J.Biol.Chem., 284, 2009
3HP6
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BU of 3hp6 by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus F710Y mutant bound to G:T mismatch
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*CP*CP*GP*TP*GP*AP*TP*CP*G)-3', 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DDG))-3', ...
Authors:Wu, E.Y, Beese, L.S.
Deposit date:2009-06-03
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011
3HQ4
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BU of 3hq4 by Molmil
Crystal Structure of C151S mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) complexed with NAD from Staphylococcus aureus MRSA252 at 2.2 angstrom resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-06-05
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3HR0
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BU of 3hr0 by Molmil
Crystal structure of Homo sapiens Conserved Oligomeric Golgi subunit 4
Descriptor: CoG4
Authors:Richardson, B.C, Ungar, D, Nakamura, A, Jeffrey, P.D, Hughson, F.M.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for a human glycosylation disorder caused by mutation of the COG4 gene.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HRC
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BU of 3hrc by Molmil
Crystal structure of a mutant of human PDK1 Kinase domain in complex with ATP
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE
Authors:Hindie, V, Alzari, P.M, Biondi, R.M.
Deposit date:2009-06-09
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1.
Nat.Chem.Biol., 5, 2009
3HRM
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BU of 3hrm by Molmil
Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form
Descriptor: HTH-type transcriptional regulator sarZ
Authors:Poor, C.B, Duguid, E, Rice, P.A, He, C.
Deposit date:2009-06-09
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus.
J.Biol.Chem., 284, 2009
3HRR
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BU of 3hrr by Molmil
The Product Template Domain from PksA with Harris Compound Bound
Descriptor: 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one, Aflatoxin biosynthesis polyketide synthase
Authors:Korman, T.P, Tsai, S.C.
Deposit date:2009-06-09
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Nature, 461, 2009
3HS6
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BU of 3hs6 by Molmil
X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Simmons, D.M, Malkowski, M.G.
Deposit date:2009-06-10
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
3HNZ
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BU of 3hnz by Molmil
Structure of E. coli FabF(C163A) in Complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009

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