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4JNY
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BU of 4jny by Molmil
Crystal structure of PutA86-630 mutant D370A complexed with L-Tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J.
Deposit date:2013-03-16
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
4JEN
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BU of 4jen by Molmil
Structure of Clostridium botulinum CMP N-glycosidase, BcmB
Descriptor: CMP N-GLYCOSIDASE, PHOSPHATE ION
Authors:Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E.
Deposit date:2013-02-27
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reversal of the substrate specificity of CMP N-glycosidase to dCMP.
Biochemistry, 52, 2013
4JFJ
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BU of 4jfj by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4JG6
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BU of 4jg6 by Molmil
RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide
Descriptor: (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
Deposit date:2013-02-28
Release date:2013-04-10
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
3DTU
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BU of 3dtu by Molmil
Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ...
Authors:Qin, L, Mills, D.A, Buhrow, L, Hiser, C, Ferguson-Miller, S.
Deposit date:2008-07-15
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A conserved steroid binding site in cytochrome C oxidase.
Biochemistry, 47, 2008
4JGE
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BU of 4jge by Molmil
Crystal structure of red fluorescent gene-engineered variant with improved folding - lanRFP_delS83 (Branchiostoma lanceolatum)
Descriptor: GLYCEROL, Red fluorescent protein blFP-R5
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2013-03-01
Release date:2013-09-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of the red fluorescent protein from a lancelet (Branchiostoma lanceolatum): a novel GYG chromophore covalently bound to a nearby tyrosine.
Acta Crystallogr.,Sect.D, 69, 2013
4JH3
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BU of 4jh3 by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Fosfomycin
Descriptor: FORMIC ACID, FOSFOMYCIN, GLYCEROL, ...
Authors:Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N.
Deposit date:2013-03-04
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
4JHI
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BU of 4jhi by Molmil
Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-benzyladenine
Descriptor: MtN13 protein, N-BENZYL-9H-PURIN-6-AMINE, SODIUM ION
Authors:Ruszkowski, M, Sikorski, M, Jaskolski, M.
Deposit date:2013-03-05
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The landscape of cytokinin binding by a plant nodulin.
Acta Crystallogr.,Sect.D, 69, 2013
3DWV
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BU of 3dwv by Molmil
Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form
Descriptor: Glutathione peroxidase-like protein
Authors:Tews, I, Sinning, I, Krauth-Siegel, L.
Deposit date:2008-07-23
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase.
J.Biol.Chem., 283, 2008
4JHS
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BU of 4jhs by Molmil
Crystal structure of a C-terminal two domain fragment of human beta-2-glycoprotein 1
Descriptor: Beta-2-glycoprotein 1, SULFATE ION
Authors:Bonanno, J.B, Toro, R, Gizzi, A, Chan, M.K, Garrett-Thomson, S.C, Patel, H, Lim, S, Matikainen, B, Celikgil, A, Garforth, S, Hillerich, B, Seidel, R, Rand, J.H, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-03-05
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a C-terminal two domain fragment of human beta-2-glycoprotein 1
To be Published
3MAS
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BU of 3mas by Molmil
Crystal structure of heterodimeric R132H mutant of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP and isocitrate
Descriptor: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Yang, B, Peng, Y, Ding, J.
Deposit date:2010-03-24
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular mechanisms of "off-on switch" of activities of human IDH1 by tumor-associated mutation R132H.
Cell Res., 20, 2010
4NOB
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BU of 4nob by Molmil
Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220]
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-11-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor
to be published
3DK3
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BU of 3dk3 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
3DKG
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BU of 3dkg by Molmil
Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523
Descriptor: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3MRO
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BU of 3mro by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant
Descriptor: 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
3MB8
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BU of 3mb8 by Molmil
Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Ho, M, Almo, S.C, Schramm, V.L.
Deposit date:2010-03-25
Release date:2011-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase.
Eukaryot Cell, 13, 2014
3DYE
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BU of 3dye by Molmil
Crystal structure of AED7-norepineprhine complex
Descriptor: BROMIDE ION, D7 protein, GLYCEROL, ...
Authors:Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M.
Deposit date:2008-07-27
Release date:2009-02-03
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
4NOY
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BU of 4noy by Molmil
Crystal structure of Listeria monocytogenes Hfq F43W
Descriptor: Protein Hfq, S-1,2-PROPANEDIOL
Authors:Canty, J.T, Kovach, A.R, Brennan, R.G.
Deposit date:2013-11-20
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Recognition of U-rich RNA by Hfq from the Gram-positive pathogen Listeria monocytogenes.
Rna, 20, 2014
3DL7
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BU of 3dl7 by Molmil
Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ...
Authors:Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F.
Deposit date:2008-06-26
Release date:2008-12-02
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
3DHQ
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BU of 3dhq by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A90R at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Harms, M.J, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-06-18
Release date:2009-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Arginine residues at internal positions in a protein are always charged.
Proc.Natl.Acad.Sci.USA, 108, 2011
4JI6
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BU of 4ji6 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ...
Authors:Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T.
Deposit date:2013-03-05
Release date:2013-11-06
Last modified:2013-12-04
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
4NX8
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BU of 4nx8 by Molmil
Structure of a PTP-like phytase from Bdellovibrio bacteriovorus
Descriptor: GLYCEROL, MAGNESIUM ION, Protein-tyrosine phosphatase 2
Authors:Gruninger, R.J, Lovering, A.L.
Deposit date:2013-12-08
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structural and biochemical analysis of a unique phosphatase from Bdellovibrio bacteriovorus reveals its structural and functional relationship with the protein tyrosine phosphatase class of phytase.
Plos One, 9, 2014
3DIC
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BU of 3dic by Molmil
Crystal structure of bovine pancreatic ribonuclease A variant (V108A)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
Deposit date:2008-06-20
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
4NQX
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BU of 4nqx by Molmil
Crystal Structure of HLA A*0101 in complex with NP44-S7N, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-1 alpha chain, ...
Authors:Rossjohn, J, Gras, S.
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preexisting CD8+ T-cell immunity to the H7N9 influenza A virus varies across ethnicities.
Proc.Natl.Acad.Sci.USA, 111, 2014
6NZ0
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BU of 6nz0 by Molmil
Cryo-EM structure of AAV-2 in complex with AAVR PKD domains 1 and 2
Descriptor: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein, MAGNESIUM ION
Authors:Meyer, N.L, Xie, Q, Davulcu, O, Yoshioka, C, Chapman, M.S.
Deposit date:2019-02-12
Release date:2019-06-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of the gene therapy vector, adeno-associated virus with its cell receptor, AAVR.
Elife, 8, 2019

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