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4Q7G
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BU of 4q7g by Molmil
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-04-24
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr D Struct Biol, 72, 2016
7BYJ
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BU of 7byj by Molmil
Crystal structure of the FERM domain of FRMPD4
Descriptor: FERM and PDZ domain-containing protein 4
Authors:Lin, L, Wang, M, Wang, C, Zhu, J.
Deposit date:2020-04-23
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of the FERM domain of a neural scaffold protein FRMPD4 implicated in X-linked intellectual disability.
Biochem.J., 477, 2020
7SN8
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BU of 7sn8 by Molmil
Cryo-EM structure of Drosophila Integrator cleavage module (IntS4-IntS9-IntS11) in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Integrator complex subunit 11, Integrator complex subunit 4, ...
Authors:Lin, M, Tong, L.
Deposit date:2021-10-27
Release date:2022-10-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Inositol hexakisphosphate is required for Integrator function.
Nat Commun, 13, 2022
4QA9
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BU of 4qa9 by Molmil
Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
Descriptor: 1,2-ETHANEDIOL, Epoxide hydrolase, SULFATE ION
Authors:Wang, F, Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Joachimiak, A, Phillips Jr, G.N, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-05-02
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
To be Published
5ITQ
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BU of 5itq by Molmil
Crystal Structure of Human NEIL1, Free Protein
Descriptor: Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
5ITY
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BU of 5ity by Molmil
Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing Thymine Glycol
Descriptor: DNA (26-MER), Endonuclease 8-like 1, GLYCEROL
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
4QH5
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BU of 4qh5 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in phosphate buffer
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Fourati, Z, Delarue, M, Sauguet, L.
Deposit date:2014-05-26
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
Acta Crystallogr.,Sect.D, 2015
7T6X
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BU of 7t6x by Molmil
Cryo-EM structure of full-length hepatitis C virus E1E2 glycoprotein in complex with AR4A, AT12009, and IGH505 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AR4A Fab, ...
Authors:Torrents de la Pena, A, Ward, A.B, Eshun-Wilson, L, Lander, G.C.
Deposit date:2021-12-14
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Structure of the hepatitis C virus E1E2 glycoprotein complex.
Science, 378, 2022
4QLE
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BU of 4qle by Molmil
Crystal structure of I14A DHFR mutant complexed with folate and NADP+
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stojkovic, V, Gakhar, L, Kohen, A.
Deposit date:2014-06-12
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
2M0Q
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BU of 2m0q by Molmil
Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
Descriptor: Potassium voltage-gated channel subfamily E member 2
Authors:Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C.
Deposit date:2012-11-01
Release date:2014-04-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.
Sci Rep, 4, 2014
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
Authors:Cheng, L, Shao, Z.
Deposit date:2020-03-26
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
5IWZ
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BU of 5iwz by Molmil
Synaptonemal complex protein
Descriptor: Synaptonemal complex protein 2
Authors:Feng, J, Fu, S, Cao, X, Wu, H, Lu, J, Zeng, M, Liu, L, Yang, X, Shen, Y.
Deposit date:2016-03-23
Release date:2017-03-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structure of synaptonemal complexes protein at 2.6 angstroms resolution
To Be Published
4XYX
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BU of 4xyx by Molmil
NanB plus Optactamide
Descriptor: Optactamide, PHOSPHATE ION, Sialidase B
Authors:Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J.
Deposit date:2015-02-03
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
8TRV
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BU of 8trv by Molmil
Structure of the EphA2 LBDCRD bound to FabS1C_C1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2024-07-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be Published
2BNU
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BU of 2bnu by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-04-04
Release date:2005-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
2C47
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BU of 2c47 by Molmil
Structure of casein kinase 1 gamma 2
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, CASEIN KINASE 1 GAMMA 2 ISOFORM, MAGNESIUM ION
Authors:Bunkoczi, G, Rellos, P, Das, S, Ugochukwu, E, Fedorov, O, Sobott, F, Eswaran, J, Amos, A, Ball, L, von Delft, F, Bullock, A, Debreczeni, J, Turnbull, A, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2005-10-16
Release date:2005-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of Casein Kinase 1 Gamma 2
To be Published
4Y1K
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BU of 4y1k by Molmil
PALMITOYLATED OPRM OUTER MEMBRANE FACTOR
Descriptor: Outer membrane protein OprM, PALMITIC ACID
Authors:Monlezun, L, Phan, G, Broutin, I.
Deposit date:2015-02-07
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:New OprM structure highlighting the nature of the N-terminal anchor.
Front Microbiol, 6, 2015
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
Descriptor: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
Authors:Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
Deposit date:2020-04-17
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
4QDO
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BU of 4qdo by Molmil
Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid
Descriptor: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDU
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BU of 4qdu by Molmil
Crystal structure of Antigen 85C co-crystallized with ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
2M68
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BU of 2m68 by Molmil
NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R in complex with IGF2 (domain 11 structure only)
Descriptor: Insulin-like growth factor 2 receptor variant
Authors:Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S.
Deposit date:2013-03-27
Release date:2014-10-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
4QE3
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BU of 4qe3 by Molmil
Crystal structure of Antigen 85C-H260Q mutant
Descriptor: ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-15
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4XS9
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BU of 4xs9 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
5J0G
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BU of 5j0g by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8
Descriptor: OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M.
Deposit date:2016-03-28
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
5J19
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BU of 5j19 by Molmil
phospho-Pon binding-induced Plk1 dimerization
Descriptor: GLYCEROL, Phosphorylated peptide from Partner of Numb, Serine/threonine-protein kinase PLK1
Authors:Zhu, K, Shan, Z, Zhang, L, Wen, W.
Deposit date:2016-03-29
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phospho-Pon Binding-Mediated Fine-Tuning of Plk1 Activity
Structure, 24, 2016

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