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3S71
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BU of 3s71 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1-benzofuran-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SLG
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BU of 3slg by Molmil
Crystal structure of PbgP3 protein from Burkholderia pseudomallei
Descriptor: CHLORIDE ION, PbgP3 protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-24
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PbgP3 protein from Burkholderia pseudomallei
To be Published
3S7T
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BU of 3s7t by Molmil
Crystal structure of SeMet B. licheniformis CDPS YvmC-Blic
Descriptor: Putative uncharacterized protein yvmC
Authors:Bonnefond, L, Ishitani, R, Nureki, O.
Deposit date:2011-05-26
Release date:2011-06-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Structural basis for nonribosomal peptide synthesis by an aminoacyl-tRNA synthetase paralog.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SB8
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BU of 3sb8 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H by Synthetic Symmetrization
Descriptor: COPPER (II) ION, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3S91
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BU of 3s91 by Molmil
Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3SER
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BU of 3ser by Molmil
Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization
Descriptor: CALCIUM ION, CHLORIDE ION, Maltose-binding periplasmic protein, ...
Authors:Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-11
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SEK
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BU of 3sek by Molmil
Crystal Structure of the Myostatin:Follistatin-like 3 Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8
Authors:Cash, J.N, Thompson, T.B.
Deposit date:2011-06-10
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding.
J.Biol.Chem., 287, 2012
3SEY
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BU of 3sey by Molmil
Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II)
Descriptor: ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
Authors:Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-11
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SGN
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BU of 3sgn by Molmil
Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100
Descriptor: Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SHV
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BU of 3shv by Molmil
Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex
Descriptor: Histone H2A.x, Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
3SK5
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BU of 3sk5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2011-06-22
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D at cryogenic temperature
To be Published
3SLT
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BU of 3slt by Molmil
Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP
Authors:Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K.
Deposit date:2011-06-25
Release date:2011-11-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
J.Mol.Biol., 415, 2012
3SJH
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BU of 3sjh by Molmil
Crystal Structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila Ciboulot and the C-terminal domain (residues 18-44) of bovine Thymosin-beta4, bound to G-actin-ATP-Latrunculin A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Renault, L, Husson, C, Carlier, M.F, Didry, D.
Deposit date:2011-06-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
3SK4
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BU of 3sk4 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
Descriptor: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2011-06-22
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
To be Published
3SMB
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BU of 3smb by Molmil
Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF)
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
3SMZ
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BU of 3smz by Molmil
Human raver1 RRM1-3 domains (residues 39-320)
Descriptor: Ribonucleoprotein PTB-binding 1, SULFATE ION
Authors:Rangarajan, E.S, Lee, J.H, Izard, T.
Deposit date:2011-06-28
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Apo raver1 structure reveals distinct RRM domain orientations.
Protein Sci., 20, 2011
3SI2
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BU of 3si2 by Molmil
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Parthier, C, Carrillo, D, Stubbs, M.T.
Deposit date:2011-06-17
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
3S6Z
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BU of 3s6z by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,8-disialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Outer capsid protein sigma-1
Authors:Reiter, D.M, Dermody, T.S, Stehle, T.
Deposit date:2011-05-26
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
3SK9
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BU of 3sk9 by Molmil
Crystal structure of the Thermus thermophilus cas3 HD domain
Descriptor: Putative uncharacterized protein TTHB187
Authors:Bailey, S, Mulepati, S.
Deposit date:2011-06-22
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
3S9T
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BU of 3s9t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-02
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
Descriptor: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3UEO
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BU of 3ueo by Molmil
Crystal structure of TopBP1 BRCT4/5 domains in complex with a phospho-peptide
Descriptor: DNA topoisomerase 2-binding protein 1, phospho-peptide
Authors:Leung, C.C, Glover, J.N.M.
Deposit date:2011-10-31
Release date:2013-07-03
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into recognition of MDC1 by TopBP1 in DNA replication checkpoint control.
Structure, 21, 2013
3UQX
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BU of 3uqx by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ...
Authors:Chen, T.T, Chen, W.Y, Xu, Y.C.
Deposit date:2011-11-21
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published
3UID
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BU of 3uid by Molmil
Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis
Descriptor: Putative uncharacterized protein
Authors:Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-11-04
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3UU1
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BU of 3uu1 by Molmil
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS142)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-3,5-dimethylbenzoic acid, Anthranilate phosphoribosyltransferase, ...
Authors:Castell, A, Short, F.L, Lott, J.S.
Deposit date:2011-11-27
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Biochemistry, 52, 2013

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