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4J3X
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BU of 4j3x by Molmil
Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltoheptasaccharide
Descriptor: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
Authors:Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A.
Deposit date:2013-02-06
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
4J3U
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BU of 4j3u by Molmil
Crystal structure of barley limit dextrinase in complex with maltosyl-S-betacyclodextrin
Descriptor: CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-1)]6-thio-alpha-D-glucopyranose, ...
Authors:Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A.
Deposit date:2013-02-06
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
4J3S
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BU of 4j3s by Molmil
Crystal structure of barley limit dextrinase soaked with 300mM maltotetraose
Descriptor: CALCIUM ION, GLYCEROL, IODIDE ION, ...
Authors:Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A.
Deposit date:2013-02-06
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
4J3V
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BU of 4j3v by Molmil
Crystal structure of barley limit dextrinase in complex with a branched thio-linked hexasaccharide
Descriptor: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
Authors:Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A.
Deposit date:2013-02-06
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
4HFV
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BU of 4hfv by Molmil
Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector)
Descriptor: CITRIC ACID, SUCCINIC ACID, Uncharacterized protein
Authors:Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-10-05
Release date:2012-11-07
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
7ZUB
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BU of 7zub by Molmil
Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex
Descriptor: (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ...
Authors:Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W.
Deposit date:2022-05-12
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
8QMO
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BU of 8qmo by Molmil
Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J.
Deposit date:2023-09-24
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
3O9O
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BU of 3o9o by Molmil
Crystal Structure of GBS1074, an Esat-6 homologue from Group B Streptococcus
Descriptor: Uncharacterized protein gbs1074
Authors:White, S.A, Shukla, A, Anthony, M.
Deposit date:2010-08-04
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The homodimeric GBS1074 from Streptococcus agalactiae.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 66, 2010
7LSE
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BU of 7lse by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Far Eastern Subtype)
Descriptor: Envelope protein E, GLYCEROL, T025 Fab Heavy Chain, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7LSF
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BU of 7lsf by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Western Subtype)
Descriptor: Envelope protein E, GLYCEROL, SODIUM ION, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7LSG
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BU of 7lsg by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Siberian Subtype)
Descriptor: Core protein, T025 Fab Heavy Chain, T025 Fab Light Chain
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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BU of 8ex2 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
6MWE
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BU of 6mwe by Molmil
CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Angiopoietin-1 receptor, SULFATE ION
Authors:Chun, L, Abendroth, J, Edwards, T.E.
Deposit date:2018-10-29
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2
Mol. Cancer Ther., 16, 2017
4A25
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BU of 4a25 by Molmil
X-ray structure Dps from Kineococcus radiotolerans in complex with Mn (II) ions.
Descriptor: CHLORIDE ION, FERRITIN DPS FAMILY PROTEIN, MANGANESE (II) ION
Authors:Ilari, A, Fiorillo, A, Ardini, M, Stefanini, S, Chiancone, E.
Deposit date:2011-09-22
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kineococcus Radiotolerans Dps Forms a Heteronuclear Mn-Fe Ferroxidase Center that May Explain the Mn-Dependent Protection Against Oxidative Stress.
Biochim.Biophys.Acta, 1830, 2013
2MMU
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BU of 2mmu by Molmil
Structure of CrgA, a Cell Division Structural and Regulatory Protein from Mycobacterium tuberculosis, in Lipid Bilayers
Descriptor: Cell division protein CrgA
Authors:Das, N, Dai, J, Hung, I, Rajagopalan, M, Zhou, H, Cross, T.A.
Deposit date:2014-03-18
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of CrgA, a cell division structural and regulatory protein from Mycobacterium tuberculosis, in lipid bilayers.
Proc.Natl.Acad.Sci.USA, 112, 2015
9BIW
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BU of 9biw by Molmil
Crystal structure of Chelona Toxin, a diphtheria toxin homolog, from Austwickia chelonae
Descriptor: CALCIUM ION, Chelona Toxin
Authors:Gill, S.K, Sugiman-Marangos, S.N, Melnyk, R.A.
Deposit date:2024-04-24
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies
Embo Mol Med
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
1QSU
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BU of 1qsu by Molmil
CRYSTAL STRUCTURE OF THE TRIPLE-HELICAL COLLAGEN-LIKE PEPTIDE, (PRO-HYP-GLY)4-GLU-LYS-GLY(PRO-HYP-GLY)5
Descriptor: PROTEIN ((PRO-HYP-GLY)4- GLU-LYS-GLY(PRO-HYP-GLY)5)
Authors:Kramer, R.Z, Venugopal, M, Bella, J, Brodsky, B, Berman, H.M.
Deposit date:1999-06-23
Release date:2000-08-30
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Staggered molecular packing in crystals of a collagen-like peptide with a single charged pair.
J.Mol.Biol., 301, 2000
4X63
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BU of 4x63 by Molmil
Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH
Descriptor: Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2014-12-06
Release date:2015-04-22
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
4K2G
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BU of 4k2g by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372
Descriptor: (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ
Authors:Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M.
Deposit date:2013-04-09
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
5EGO
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BU of 5ego by Molmil
HOXB13-MEIS1 heterodimer bound to methylated DNA
Descriptor: DNA (5'-D(*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-27
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
5EF6
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BU of 5ef6 by Molmil
Structure of HOXB13 complex with methylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-23
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Descriptor: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016

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