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5G2H
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BU of 5g2h by Molmil
S. enterica HisA with mutation L169R
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ...
Authors:Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-04-08
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G6E
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BU of 5g6e by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
3X02
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BU of 3x02 by Molmil
Crystal structure of PIP4KIIBETA complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
5UI5
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BU of 5ui5 by Molmil
Crystal structure of Aquifex aeolicus sigmaN bound to promoter DNA
Descriptor: DNA (30-MER), DNA (31-MER), RNA polymerase sigma factor RpoN
Authors:Darst, S.A, Campbell, E.A, Rajashankar, K.
Deposit date:2017-01-12
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of Aquifex aeolicus sigma (N) bound to promoter DNA and the structure of sigma (N)-holoenzyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UM0
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BU of 5um0 by Molmil
Crystal structure of 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase from Neisseria gonorrhoeae
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, L(+)-TARTARIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-25
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase from Neisseria gonorrhoeae
TO BE PUBLISHED
5UNJ
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BU of 5unj by Molmil
Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100
Descriptor: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Peroxisome proliferator-activated gamma coactivator 1-alpha
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Structure and Dynamics of the Liver Receptor Homolog 1-PGC1 alpha Complex.
Mol. Pharmacol., 92, 2017
5UO5
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BU of 5uo5 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5UJW
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BU of 5ujw by Molmil
Crystal structure of triosephosphate isomerase from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CITRIC ACID, ...
Authors:Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-01-19
Release date:2017-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of triosephosphate isomerase from Francisella tularensis subsp. tularensis SCHU S4
To Be Published
3X0A
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BU of 3x0a by Molmil
Crystal structure of PIP4KIIBETA F205L complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
5CNR
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BU of 5cnr by Molmil
Crystal structure-guided design of self-assembling RNA nano triangles
Descriptor: CHLORIDE ION, RNA (5'-R(*AP*GP*AP*GP*GP*AP*CP*GP*GP*CP*G)-3'), RNA (5'-R(*GP*UP*CP*UP*AP*CP*CP*CP*AP*CP*CP*UP*CP*GP*CP*C)-3')
Authors:Boerneke, M, Dibrov, S, Hermann, T.
Deposit date:2015-07-18
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal-Structure-Guided Design of Self-Assembling RNA Nanotriangles.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CNU
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BU of 5cnu by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to ADP and dGTP at 3.40 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5G6Q
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BU of 5g6q by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
2APJ
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BU of 2apj by Molmil
X-Ray Structure of Protein from Arabidopsis Thaliana AT4G34215 at 1.6 Angstrom Resolution
Descriptor: Putative Esterase
Authors:Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-08-16
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 61, 2005
5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
Descriptor: HIV-1 Capsid Protein and spacer peptide 1
Authors:Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2017-12-06
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
5BPO
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BU of 5bpo by Molmil
Human insulin with intra-chain chemical crosslink between modified B27 and B29
Descriptor: Insulin
Authors:Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
Deposit date:2015-05-28
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
5UN1
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BU of 5un1 by Molmil
Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor
Descriptor: (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Song, X, Gouaux, E.
Deposit date:2017-01-30
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanism of NMDA receptor channel block by MK-801 and memantine.
Nature, 556, 2018
3ZHK
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BU of 3zhk by Molmil
The crystal structure of single domain antibody 2x1 scaffold
Descriptor: MG2X1 SCAFFOLD ANTIBODY, SULFATE ION
Authors:Song, H.-N, Woo, E.-J, Lim, H.-K.
Deposit date:2012-12-22
Release date:2014-01-08
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
Descriptor: Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
5ERG
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BU of 5erg by Molmil
Crystal structure of the two-subunit tRNA m1A58 methyltransferase TRM6-TRM61 in complex with SAM
Descriptor: S-ADENOSYLMETHIONINE, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6
Authors:Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X.
Deposit date:2015-11-14
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
5UOT
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BU of 5uot by Molmil
CryoEM structure of the helical assembly of full length MxB
Descriptor: Interferon-induced GTP-binding protein Mx2
Authors:Perilla, J.R, Alvarez, F.J.D, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2018-02-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction.
Sci Adv, 3, 2017
5AM5
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BU of 5am5 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-cyclohexyl-3-propyl-1H-pyridin-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-09
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALO
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BU of 5alo by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM4
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BU of 5am4 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-09
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5EEX
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BU of 5eex by Molmil
RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 9.02 MGy
Descriptor: (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B.
Deposit date:2015-10-23
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
5ALT
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BU of 5alt by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015

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