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3UWY
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Crystal structure of triosephosphate isomerase from Methicillin resistant Staphylococcus Aureus at 2.4 angstrom resolution
Descriptor: Triosephosphate isomerase
Authors:Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K.
Deposit date:2011-12-03
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
4AP4
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BU of 4ap4 by Molmil
Rnf4 - ubch5a - ubiquitin heterotrimeric complex
Descriptor: E3 UBIQUITIN LIGASE RNF4, UBIQUITIN C, UBIQUITIN-CONJUGATING ENZYME E2 D1, ...
Authors:Plechanovova, A, Hay, R.T, Tatham, M.H, Jaffray, E, Naismith, J.H.
Deposit date:2012-03-30
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of a Ring E3 Ligase and Ubiquitin-Loaded E2 Primed for Catalysis
Nature, 489, 2012
1N0S
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BU of 1n0s by Molmil
ENGINEERED LIPOCALIN FLUA IN COMPLEX WITH FLUORESCEIN
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Bilin-binding protein, SULFATE ION
Authors:Korndoerfer, I.P, Skerra, A.
Deposit date:2002-10-15
Release date:2003-08-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of an "anticalin" with tailored specificity for fluorescein reveals high structural plasticity of the lipocalin loop region.
Proteins, 53, 2003
3V3E
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Crystal Structure of the Human Nur77 Ligand-binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-13
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3UWE
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AKR1C3 complexed with 3-phenoxybenzoic acid
Descriptor: 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ...
Authors:Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
Deposit date:2011-12-01
Release date:2012-04-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of AKR1C3 with 3-phenoxybenzoic acid bound
Acta Crystallogr.,Sect.F, 68, 2012
3UST
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BU of 3ust by Molmil
Structure of BmNPV ORF075 (p33)
Descriptor: AcMNPV orf92, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yuan, Y.A, Hou, Y, Xia, Q.
Deposit date:2011-11-23
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Bombyx mori nucleopolyhedrovirus ORF75 reveals a pseudo-dimer of thiol oxidase domains with a putative substrate-binding pocket
J.Gen.Virol., 93, 2012
4AD5
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Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD1
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Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens
Descriptor: GLYCOSYL HYDROLASE FAMILY 71
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V1T
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Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 1.9 Angstrom resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-12-10
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 1.9 Angstrom resolution
To be Published
3V3Q
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Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
1PQC
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BU of 1pqc by Molmil
HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Oxysterols receptor LXR-beta
Authors:Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M.
Deposit date:2003-06-18
Release date:2003-09-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands.
J.Biol.Chem., 278, 2003
4AKJ
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BU of 4akj by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-23
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
4ALU
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BU of 4alu by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
Authors:Sim, J, Pons, J.
Deposit date:2020-11-11
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
4A00
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BU of 4a00 by Molmil
Structure of an engineered aspartate aminotransferase
Descriptor: ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C.
Deposit date:2011-09-06
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
4A1T
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BU of 4a1t by Molmil
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-19
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4ACL
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BU of 4acl by Molmil
3D Structure of DotU from Francisella novicida
Descriptor: 1,2-ETHANEDIOL, GOLD ION, SODIUM ION, ...
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2011-12-16
Release date:2012-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Structure of the Conserved Type Six Secretion Protein Tssl (Dotu) from Francisella Novicida
J.Mol.Biol., 419, 2012
3VZ1
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BU of 3vz1 by Molmil
Structural insights into substrate and cofactor selelction by sp2771
Descriptor: Succinate-semialdehyde dehydrogenase
Authors:Yuan, Y.A, Yuan, Z, Yin, B, Wei, D.
Deposit date:2012-10-09
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for cofactor and substrate selection by cyanobacterium succinic semialdehyde dehydrogenase
J.Struct.Biol., 182, 2013
3ZFH
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BU of 3zfh by Molmil
Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase
Descriptor: CHLORIDE ION, INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE
Authors:Rao, V.A, Shepherd, S.M, Owen, R, Hunter, W.N.
Deposit date:2012-12-11
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Pseudomonas Aeruginosa Inosine 5'-Monophosphate Dehydrogenase
Acta Crystallogr.,Sect.F, 69, 2013
3WYX
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BU of 3wyx by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
Descriptor: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-09
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
4AI5
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BU of 4ai5 by Molmil
Crystal structure of Y16F of 3-methyladenine DNA glycosylase I (TAG) in complex with 3-methyladenine
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
Authors:Zhu, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
3VNW
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Crystal structure of cytochrome c552 from Thermus thermophilus at pH 5.44
Descriptor: Cytochrome c-552, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yamada, S, Bouley-Ford, N.D, Keller, G.E, Winkler, J.R, Gray, H.B.
Deposit date:2012-01-18
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Snapshots of a protein folding intermediate
Proc.Natl.Acad.Sci.USA, 110, 2013
3VG3
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BU of 3vg3 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 (2.22 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
4A3Q
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BU of 4a3q by Molmil
The 2.15 Angstrom resolution crystal structure of Staphylococcus aureus alanine racemase
Descriptor: ACETATE ION, ALANINE RACEMASE 1, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Scaletti, E.R, Luckner, S.R, Krause, K.L.
Deposit date:2011-10-04
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Features and Kinetic Characterization of Alanine Racemase from Staphylococcus Aureus (Mu50)
Acta Crystallogr.,Sect.D, 68, 2012
4A0S
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STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF IN COMPLEX WITH NADP AND 2-OCTENOYL-COA
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OCTANOYL-COENZYME A, OCTENOYL-COA REDUCTASE/CARBOXYLASE
Authors:Quade, N, Huo, L, Rachid, S, Heinz, D.W, Muller, R.
Deposit date:2011-09-12
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unusual carbon fixation gives rise to diverse polyketide extender units.
Nat. Chem. Biol., 8, 2011

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