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6DFV
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BU of 6dfv by Molmil
Mouse diabetogenic TCR 8F10
Descriptor: 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFQ
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BU of 6dfq by Molmil
mouse diabetogenic TCR I.29
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ...
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFW
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BU of 6dfw by Molmil
TCR 8F10 in complex with IAg7-p8G9E
Descriptor: 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ...
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFS
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BU of 6dfs by Molmil
mouse TCR I.29 in complex with IAg7-p8E9E6ss
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ...
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
7D9M
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BU of 7d9m by Molmil
grass carp interleukin-2
Descriptor: Interleukin
Authors:Junya, w, Jun, z.
Deposit date:2020-10-13
Release date:2020-10-28
Last modified:2020-11-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural insights into the co-evolution of IL-2 and its private receptor in fish.
Dev.Comp.Immunol., 115, 2020
6T1R
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BU of 6t1r by Molmil
Pseudo-atomic model of a 16-mer assembly of reduced recombinant human alphaA-crystallin (non domain swapped configuration)
Descriptor: Alpha-crystallin A chain
Authors:Peters, C, Kaiser, C.J.O, Weinkauf, S, Zacharias, M, Buchner, J.
Deposit date:2019-10-05
Release date:2019-12-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:The structure and oxidation of the eye lens chaperone alpha A-crystallin.
Nat.Struct.Mol.Biol., 26, 2019
3G02
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BU of 3g02 by Molmil
Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution
Descriptor: Epoxide hydrolase, FORMIC ACID
Authors:Naworyta, A, Mowbray, S.L.
Deposit date:2009-01-27
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
4WV4
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BU of 4wv4 by Molmil
Heterodimer of TAF8/TAF10
Descriptor: CHLORIDE ION, GLYCEROL, Transcription initiation factor TFIID subunit 10, ...
Authors:Trowitzsch, S.
Deposit date:2014-11-04
Release date:2015-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Cytoplasmic TAF2-TAF8-TAF10 complex provides evidence for nuclear holo-TFIID assembly from preformed submodules.
Nat Commun, 6, 2015
4WV6
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BU of 4wv6 by Molmil
Heterodimer of Importin alpha 1 with nuclear localization signal of TAF8
Descriptor: 1,2-ETHANEDIOL, Importin subunit alpha-1, Transcription initiation factor TFIID subunit 8
Authors:Trowitzsch, S.
Deposit date:2014-11-04
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytoplasmic TAF2-TAF8-TAF10 complex provides evidence for nuclear holo-TFIID assembly from preformed submodules.
Nat Commun, 6, 2015
8JY6
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BU of 8jy6 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol
Descriptor: Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY7
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BU of 8jy7 by Molmil
Structure of the TbAQP2 in the apo conformation
Descriptor: Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY8
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BU of 8jy8 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug pentamidine
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
Deposit date:2016-04-11
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
8UN5
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BU of 8un5 by Molmil
KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
5M4S
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BU of 5m4s by Molmil
Transcription factor TFIIA as a single chain protein
Descriptor: Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1
Authors:Kandiah, E, Gupta, K.
Deposit date:2016-10-19
Release date:2017-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
5MG3
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BU of 5mg3 by Molmil
EM fitted model of bacterial holo-translocon
Descriptor: Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ...
Authors:Schaffitzel, C, Botte, M.
Deposit date:2016-11-20
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (14 Å)
Cite:A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion.
Sci Rep, 6, 2016
8UN3
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BU of 8un3 by Molmil
KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one)
Descriptor: 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8UN4
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BU of 8un4 by Molmil
KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
5SYB
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BU of 5syb by Molmil
Crystal structure of human PHF5A
Descriptor: 1,2-ETHANEDIOL, PHD finger-like domain-containing protein 5A, ZINC ION
Authors:Tsai, J.H.C, Teng, T, Zhu, P, Fekkes, P, Larsen, N.A.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Splicing modulators act at the branch point adenosine binding pocket defined by the PHF5A-SF3b complex.
Nat Commun, 8, 2017
6DFX
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BU of 6dfx by Molmil
human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6VG5
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BU of 6vg5 by Molmil
DengueV-2 Capsid ST148 inhibitor Complex
Descriptor: 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ...
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-01-07
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
3B8I
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BU of 3b8i by Molmil
Crystal Structure of Oxaloacetate Decarboxylase from Pseudomonas Aeruginosa (PA4872) in complex with oxalate and Mg2+.
Descriptor: GLYCEROL, MAGNESIUM ION, OXALATE ION, ...
Authors:Narayanan, B.C, Herzberg, O.
Deposit date:2007-11-01
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of PA4872 from Pseudomonas aeruginosa, a novel class of oxaloacetate decarboxylase from the PEP mutase/isocitrate lyase superfamily.
Biochemistry, 47, 2008
2DQ5
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BU of 2dq5 by Molmil
solution structure of the Mid1 B Box2 Chc(D/C)C2H2 Zinc-Binding Domain: insights into an evolutionary conserved ring fold
Descriptor: Midline-1, ZINC ION
Authors:Massiah, M.A, Matts, J.A.B, Short, K.M, Simmons, B.N, Singireddy, S, Zou, J, Cox, T.C.
Deposit date:2006-05-20
Release date:2007-04-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the MID1 B-box2 CHC(D/C)C(2)H(2) Zinc-binding Domain: Insights into an Evolutionarily Conserved RING Fold
J.Mol.Biol., 369, 2007
5JNS
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BU of 5jns by Molmil
Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with phosphate
Descriptor: DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION
Authors:Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
Deposit date:2016-04-30
Release date:2017-03-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017

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