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5TRE
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BU of 5tre by Molmil
Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers
Descriptor: Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1
Authors:Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G.
Deposit date:2016-10-26
Release date:2017-06-07
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (15.6 Å)
Cite:Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
5U4P
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BU of 5u4p by Molmil
Protein-protein complex between 26S proteasome regulatory subunit RPN8, RPN11, and Ubiquitin S31
Descriptor: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, Ubiquitin-40S ribosomal protein S31, ...
Authors:Worden, E.J, Dong, K.C, Martin, A.
Deposit date:2016-12-05
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An AAA Motor-Driven Mechanical Switch in Rpn11 Controls Deubiquitination at the 26S Proteasome.
Mol. Cell, 67, 2017
1UIB
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BU of 1uib by Molmil
ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE HELIX DIPOLE AND CHARGED SIDE CHAINS
Descriptor: 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, LYSOZYME
Authors:Motoshima, H, Ohmura, T, Ueda, T, Imoto, T.
Deposit date:1996-11-26
Release date:1997-11-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fluctuations in free or substrate-complexed lysozyme and a mutant of it detected on x-ray crystallography and comparison with those detected on NMR.
J.Biochem.(Tokyo), 131, 2002
5TVA
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BU of 5tva by Molmil
A. aeolicus BioW with AMP and CoA
Descriptor: 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
5TRW
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BU of 5trw by Molmil
Crystal structure of Pyridoxamine kinase PDXY from Burkholderia xenovorans
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-10-27
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Pyridoxamine kinase PDXY from Burkholderia xenovorans
to be published
1ULX
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BU of 1ulx by Molmil
Partially photolyzed structure of CO-bound heme-heme oxygenase complex
Descriptor: CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Sakamoto, H, Noguchi, M, Fukuyama, K.
Deposit date:2003-09-16
Release date:2004-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:CO-trapping site in heme oxygenase revealed by photolysis of its co-bound heme complex: mechanism of escaping from product inhibition
J.Mol.Biol., 341, 2004
5U5V
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BU of 5u5v by Molmil
CcP gateless cavity
Descriptor: 1H-benzimidazol-4-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.222 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U61
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BU of 5u61 by Molmil
CcP gateless cavity
Descriptor: 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.222 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1UP3
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BU of 1up3 by Molmil
Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, PUTATIVE CELLULASE CEL6, SULFATE ION, ...
Authors:Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J.
Deposit date:2003-09-26
Release date:2004-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
5U7N
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BU of 5u7n by Molmil
CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Cytochrome c oxidase subunit 2
Authors:Otero, L.H, Klinke, S, Espinoza-Cara, A, Vila, A.J.
Deposit date:2016-12-12
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis.
Chem Sci, 9, 2018
1UWR
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BU of 1uwr by Molmil
Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose
Descriptor: 2-deoxy-2-fluoro-alpha-D-galactopyranose, ACETATE ION, BETA-GALACTOSIDASE
Authors:Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2004-02-11
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Studies of the Beta-Glycosidase from Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors.
Biochemistry, 43, 2004
5U68
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BU of 5u68 by Molmil
Structural basis for antibody cross-neutralization of respiratory syncytial virus and human metapneumovirus
Descriptor: Chimera protein of Fusion glycoprotein F0 and Envelope glycoprotein, MPE8
Authors:Wen, X, Jardetzky, T.S.
Deposit date:2016-12-07
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.083 Å)
Cite:Structural basis for antibody cross-neutralization of respiratory syncytial virus and human metapneumovirus.
Nat Microbiol, 2, 2017
5UCX
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BU of 5ucx by Molmil
Structure of S78C Human Peroxiredoxin 3 as three stacked rings
Descriptor: Thioredoxin-dependent peroxide reductase, mitochondrial
Authors:Yewdall, N.A, Gerrard, J.A, Goldstone, G.C.
Deposit date:2016-12-22
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Quaternary structure influences the peroxidase activity of peroxiredoxin 3.
Biochem. Biophys. Res. Commun., 497, 2018
1UJL
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BU of 1ujl by Molmil
Solution Structure of the HERG K+ channel S5-P extracellular linker
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Torres, A.M, Bansal, P.S, Sunde, M, Clarke, C.E, Bursill, J.A, Smith, D.J, Bauskin, A, Breit, S.N, Campbell, T.J, Alewood, P.F, Kuchel, P.W, Vandenberg, J.I.
Deposit date:2003-08-05
Release date:2003-11-04
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of the HERG K+ channel S5P extracellular linker: role of an amphipathic alpha-helix in C-type inactivation.
J.Biol.Chem., 278, 2003
1V7R
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BU of 1v7r by Molmil
Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3
Descriptor: CITRIC ACID, hypothetical protein PH1917
Authors:Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-12-22
Release date:2003-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes.
J.Mol.Biol., 375, 2008
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
1V97
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BU of 1v97 by Molmil
Crystal Structure of Bovine Milk Xanthine Dehydrogenase FYX-051 bound form
Descriptor: 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE, ACETIC ACID, CALCIUM ION, ...
Authors:Okamoto, K, Matsumoto, K, Hille, R, Eger, B.T, Pai, E.F, Nishino, T.
Deposit date:2004-01-21
Release date:2004-06-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The crystal structure of xanthine oxidoreductase during catalysis: Implications for reaction mechanism and enzyme inhibition.
Proc.Natl.Acad.Sci.USA, 101, 2004
5U5U
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BU of 5u5u by Molmil
CcP gateless cavity
Descriptor: ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5Y
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BU of 5u5y by Molmil
CcP gateless cavity
Descriptor: 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U60
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BU of 5u60 by Molmil
CcP gateless cavity
Descriptor: (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U72
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BU of 5u72 by Molmil
Structure of human MR1-5OH-DCF in complex with human MAIT A-F7 TCR
Descriptor: 5-hydroxydiclofenac, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-12-10
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell receptor complex
NAT.IMMUNOL., 2017
1UKK
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BU of 1ukk by Molmil
Structure of Osmotically Inducible Protein C from Thermus thermophilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Osmotically Inducible Protein C
Authors:Rehse, P.H, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-08-24
Release date:2004-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Structure and Biochemical Analysis of the Thermus thermophilus Osmotically Inducible Protein C
J.MOL.BIOL., 338, 2004
5TWR
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BU of 5twr by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
1UNE
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BU of 1une by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-11-05
Release date:1998-05-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
5TXV
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BU of 5txv by Molmil
HslU P21 cell with 4 hexamers
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU
Authors:Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T.
Deposit date:2016-11-17
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (7.086 Å)
Cite:Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017

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