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3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
3VQU
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BU of 3vqu by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y.
Deposit date:2012-03-30
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3VCG
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BU of 3vcg by Molmil
Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
Deposit date:2012-01-04
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
3VE1
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BU of 3ve1 by Molmil
The 2.9 angstrom crystal structure of Transferrin binding protein B (TbpB) from serogroup B M982 Neisseria meningitidis in complex with human transferrin
Descriptor: CARBONATE ION, FE (III) ION, GLYCEROL, ...
Authors:Calmettes, C, Moraes, T.F.
Deposit date:2012-01-06
Release date:2012-02-22
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:The structural basis of transferrin sequestration by transferrin-binding protein B.
Nat.Struct.Mol.Biol., 19, 2012
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
Descriptor: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3VG4
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BU of 3vg4 by Molmil
Cadmium derivative of human LFABP
Descriptor: CADMIUM ION, Fatty acid-binding protein, liver, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VGH
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BU of 3vgh by Molmil
Crystal structure of glycosyltrehalose trehalohydrolase (E283Q) complexed with maltotriosyltrehalose
Descriptor: CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ...
Authors:Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
3V7V
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BU of 3v7v by Molmil
Thaumatin by Classical Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
Deposit date:2011-12-22
Release date:2012-11-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
3VNR
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BU of 3vnr by Molmil
Co-crystal structure of NRPS adenylation protein CytC1 with aminobutyric acid and AMP from streptomyces
Descriptor: ADENOSINE MONOPHOSPHATE, ALPHA-AMINOBUTYRIC ACID, NRPS adenylation protein CytC1
Authors:Okumura, H, Ueki, M, Shiro, Y, Osada, H.
Deposit date:2012-01-17
Release date:2013-01-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate recognition mechanism of NRPS adenylation protein from Streptomyces
To be Published
3VA5
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BU of 3va5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V23A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Nam, S.P, Heroux, A, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2011-12-28
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Pressure effects in proteins.
To be Published
3VAC
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BU of 3vac by Molmil
Crystal Structure of the CFA/I Enterotoxigenic E. coli adhesin CfaE mutant G168D
Descriptor: CFA/I fimbrial subunit E
Authors:Liu, Y, Esser, L, Xia, D.
Deposit date:2011-12-29
Release date:2013-02-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Tight Conformational Coupling between the Domains of the Enterotoxigenic Escherichia coli Fimbrial Adhesin CfaE Regulates Binding State Transition.
J.Biol.Chem., 288, 2013
3VO8
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BU of 3vo8 by Molmil
Staphylococcus aureus FtsZ GDP-form
Descriptor: CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Matsui, T, Mogi, N, Yao, M, Tanaka, I.
Deposit date:2012-01-20
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
3VOO
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BU of 3voo by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant A245E
Descriptor: Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2012-01-31
Release date:2013-02-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
3VDZ
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BU of 3vdz by Molmil
Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms
Descriptor: GADOLINIUM ATOM, SULFATE ION, Ubiquitin-40S ribosomal protein S27a
Authors:Daughtry, K.D, Martin, L.J, Surraju, A, Imperiali, B, Allen, K.N.
Deposit date:2012-01-06
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tailoring encodable lanthanide-binding tags as MRI contrast agents.
Chembiochem, 13, 2012
3VP6
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BU of 3vp6 by Molmil
Structural characterization of Glutamic Acid Decarboxylase; insights into the mechanism of autoinactivation
Descriptor: 4-oxo-4H-pyran-2,6-dicarboxylic acid, GLYCEROL, Glutamate decarboxylase 1
Authors:Langendorf, C.G, Tuck, K.L, Key, T.L.G, Rosado, C.J, Wong, A.S.M, Fenalti, G, Buckle, A.M, Law, R.H.P, Whisstock, J.C.
Deposit date:2012-02-27
Release date:2013-01-16
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the mechanism through which human glutamic acid decarboxylase auto-activates
Biosci.Rep., 33, 2013
3VFO
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BU of 3vfo by Molmil
crystal structure of HLA B*3508 LPEP157A, HLA mutant Ala157
Descriptor: Beta-2-microglobulin, LPEP peptide from EBV, LPEPLPQGQLTAY, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-03-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3UP1
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BU of 3up1 by Molmil
Crystal structure of the unliganded human interleukin-7 receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:McElroy, C.A, Holland, P.J, Walsh, S.T.R.
Deposit date:2011-11-17
Release date:2012-02-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural reorganization of the interleukin-7 signaling complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UPS
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BU of 3ups by Molmil
Crystal structure of iojap-like protein from Zymomonas mobilis
Descriptor: Iojap-like protein
Authors:Chang, C, Li, H, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-18
Release date:2011-12-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of iojap-like protein from Zymomonas mobilis
To be Published
3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
Descriptor: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UW2
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BU of 3uw2 by Molmil
X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-30
Release date:2012-02-01
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UWS
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BU of 3uws by Molmil
Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-12-02
Release date:2012-06-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure and Activity Studies of the C11 Cysteine Peptidase from Parabacteroides merdae in the Human Gut Microbiome.
J.Biol.Chem., 291, 2016
3UQ9
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BU of 3uq9 by Molmil
Adenosine kinase from Schistosoma mansoni in complex with tubercidin
Descriptor: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, putative, ...
Authors:Romanello, L, Cassago, A, Bachega, F.R, Garatt, R.C, DeMarco, R, Pereira, H.M.
Deposit date:2011-11-19
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
3UTH
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BU of 3uth by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UWX
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BU of 3uwx by Molmil
Crystal structure of UvrA-UvrB complex
Descriptor: Excinuclease ABC, A subunit, UvrABC system protein B, ...
Authors:Pakotiprapha, D, Jeruzalmi, D.
Deposit date:2011-12-03
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.398 Å)
Cite:Structure and mechanism of the UvrA-UvrB DNA damage sensor.
Nat.Struct.Mol.Biol., 19, 2012
3UZW
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BU of 3uzw by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Penning, T.M.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012

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