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5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
Descriptor: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
Authors:Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
8JMM
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BU of 8jmm by Molmil
Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
Descriptor: 7F3 Fv, GW01 Fv, Spike glycoprotein
Authors:Hao, A, Mao, Q, Chen, Z, Huang, J, Sun, L.
Deposit date:2023-06-05
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
To Be Published
1VYV
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BU of 1vyv by Molmil
beta4 subunit of Ca2+ channel
Descriptor: CALCIUM CHANNEL BETA-4SUBUNIT
Authors:Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J.
Deposit date:2004-05-07
Release date:2004-06-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
4JGZ
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BU of 4jgz by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
4FG7
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BU of 4fg7 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-293 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
Authors:Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
Deposit date:2012-06-04
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
4YOM
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BU of 4yom by Molmil
Structure of SAD kinase
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-12
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
5DXU
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BU of 5dxu by Molmil
p110delta/p85alpha with GDC-0326
Descriptor: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
Deposit date:2015-09-23
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
5DXH
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BU of 5dxh by Molmil
p110alpha/p85alpha with compound 5
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
Authors:Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
Deposit date:2015-09-23
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
3QNN
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BU of 3qnn by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dGT Opposite 3tCo
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Primer, ...
Authors:Xia, S, Wang, M, Wang, J, Konigsberg, W.H.
Deposit date:2011-02-08
Release date:2012-02-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase.
Biochemistry, 51, 2012
7DR9
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BU of 7dr9 by Molmil
Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
Descriptor: 3C-like proteinase
Authors:Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2020-12-27
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.775871 Å)
Cite:Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
To Be Published
2ID0
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BU of 2id0 by Molmil
Escherichia coli RNase II
Descriptor: Exoribonuclease 2, MANGANESE (II) ION
Authors:Zuo, Y, Zhang, J, Wang, Y, Malhotra, A.
Deposit date:2006-09-13
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis for Processivity and Single-Strand Specificity of RNase II.
Mol.Cell, 24, 2006
3J3X
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BU of 3j3x by Molmil
Independent reconstruction of Mm-cpn cryo-EM density map from half dataset in the closed state (training map)
Descriptor: Chaperonin
Authors:DiMaio, F, Zhang, J, Chiu, W, Baker, D.
Deposit date:2013-05-02
Release date:2013-05-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM model validation using independent map reconstructions.
Protein Sci., 22, 2013
5FKP
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BU of 5fkp by Molmil
Crystal structure of the mouse CD1d in complex with the p99 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, BETA 2 MICROGLOBULIN, ...
Authors:Girardi, E, Wang, J, Zajonc, D.M.
Deposit date:2015-10-18
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an Alpha-Helical Peptide and Lipopeptide Bound to the Non-Classical Mhc Class I Molecule Cd1D
J.Biol.Chem., 291, 2016
4FG9
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BU of 4fg9 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
Authors:Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
Deposit date:2012-06-04
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
Descriptor: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
Authors:Hare, S, Wang, J, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
4Z0B
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BU of 4z0b by Molmil
Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
Descriptor: PHOSPHATE ION, antibody heavy chain, antibody light chain
Authors:He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
Deposit date:2015-03-26
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
3J1Z
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BU of 3j1z by Molmil
Inward-Facing Conformation of the Zinc Transporter YiiP revealed by Cryo-electron Microscopy
Descriptor: Cation efflux family protein
Authors:Coudray, N, Valvo, S, Hu, M, Lasala, R, Kim, C, Vink, M, Zhou, M, Provasi, D, Filizola, M, Tao, J, Fang, J, Penczek, P.A, Ubarretxena-Belandia, I, Stokes, D.L, Transcontinental EM Initiative for Membrane Protein Structure (TEMIMPS)
Deposit date:2012-07-24
Release date:2012-10-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (13 Å)
Cite:Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 110, 2013
2OIG
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BU of 2oig by Molmil
Crystal structure of RS21-C6 core segment and dm5CTP complex
Descriptor: 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), RS21-C6
Authors:Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z.
Deposit date:2007-01-11
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
2O52
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BU of 2o52 by Molmil
Crystal structure of human RAB4B in complex with GDP
Descriptor: BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, Wang, J, Shen, Y, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-12-05
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human RAB4B in complex with GDP
To be Published
5HRB
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BU of 5hrb by Molmil
The crystal structure of AsfvPolX:DNA1 binary complex
Descriptor: BETA-MERCAPTOETHANOL, DNA (5'-D(*CP*GP*GP*AP*TP*AP*TP*CP*C)-3'), DNA polymerase beta-like protein, ...
Authors:Chen, Y.Q, Zhang, J, Gan, J.H.
Deposit date:2016-01-23
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of Se-AsfvPolX(L52/163M mutant) in complex with 1nt-gap DNA1
To Be Published
5HRH
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BU of 5hrh by Molmil
The crystal structure of AsfvPolX(H115F/R127A mutant): 1nt-gap(P) DNA2:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*TP*CP*TP*AP*TP*GP*TP*GP*TP*AP*CP*TP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*A*)-3'), ...
Authors:Chen, Y.Q, Zhang, J, Gan, J.H.
Deposit date:2016-01-23
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of Se-AsfvPolX(L52/163M mutant) in complex with 1nt-gap DNA1
To Be Published
3K6U
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BU of 3k6u by Molmil
M. acetivorans Molybdate-Binding Protein (ModA) in Unliganded Open Form
Descriptor: Solute-binding protein MA_0280
Authors:Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J.
Deposit date:2009-10-09
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
2OIL
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BU of 2oil by Molmil
Crystal structure of human RAB25 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-25, ...
Authors:Zhu, H, Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-01-11
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human RAB25 in complex with GDP
To be Published
3JVG
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BU of 3jvg by Molmil
Crystal Structure of chicken CD1-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Dvir, H, Wang, J, Zajonc, D.M.
Deposit date:2009-09-16
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for lipid-antigen recognition in avian immunity.
J.Immunol., 184, 2010
3UWK
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BU of 3uwk by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Descriptor: 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase
Authors:Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
Deposit date:2011-12-02
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012

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