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8PDE
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BU of 8pde by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif
Descriptor: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ...
Authors:Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
Deposit date:2023-06-12
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
4F09
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BU of 4f09 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
8OH4
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BU of 8oh4 by Molmil
Subtomogram averaging structure of cofilactin filament inside microtubule lumen of Drosophila S2 cell protrusion.
Descriptor: Actin-5C, Cofilin/actin-depolymerizing factor homolog
Authors:Ventura Santos, C, Carter, A.P.
Deposit date:2023-03-20
Release date:2023-05-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (16.5 Å)
Cite:CryoET shows cofilactin filaments inside the microtubule lumen.
Biorxiv, 2023
8PWT
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BU of 8pwt by Molmil
Solution structure of the peptide U11-MYRTX-Tb1a from the venom of the ant Tetramorium bicarinatum
Descriptor: U11-myrmicitoxin-Tb1a
Authors:Jouvensal, L, Paquet, F, Loth, K.
Deposit date:2023-07-21
Release date:2023-10-25
Last modified:2023-11-08
Method:SOLUTION NMR
Cite:Discovery of an Insect Neuroactive Helix Ring Peptide from Ant Venom.
Toxins, 15, 2023
3PR0
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BU of 3pr0 by Molmil
Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Descriptor: 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C.
Deposit date:2010-11-29
Release date:2011-11-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
4BI9
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BU of 4bi9 by Molmil
Crystal structure of wild-type SCP2 thiolase from Trypanosoma brucei.
Descriptor: 3-KETOACYL-COA THIOLASE, PUTATIVE
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2013-04-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
4BXI
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BU of 4bxi by Molmil
Crystal structure of ATP binding domain of AgrC from Staphylococcus aureus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACCESSORY GENE REGULATOR PROTEIN C, ACETATE ION, ...
Authors:Srivastava, S.K, Rajasree, K, Gopal, B.
Deposit date:2013-07-12
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Influence of the Agrc-Agra Complex in the Response Time of Staphylococcus Aureus Quorum Sensing
J.Bacteriol., 196, 2014
4FBZ
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BU of 4fbz by Molmil
Crystal structure of deltarhodopsin from Haloterrigena thermotolerans
Descriptor: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, BACTERIORUBERIN, ...
Authors:Kouyama, T.
Deposit date:2012-05-23
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of deltarhodopsin-3 from Haloterrigena thermotolerans
Proteins, 81, 2013
1JKJ
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BU of 1jkj by Molmil
E. coli SCS
Descriptor: COENZYME A, GLYCEROL, PHOSPHATE ION, ...
Authors:Fraser, M.E.
Deposit date:2001-07-12
Release date:2002-01-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase.
Biochemistry, 41, 2002
7ZV3
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BU of 7zv3 by Molmil
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472
Descriptor: 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
Deposit date:2022-05-13
Release date:2022-07-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
J Enzyme Inhib Med Chem, 37, 2022
7FBW
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BU of 7fbw by Molmil
Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis
Descriptor: NICKEL (II) ION, Predicted xylanase/chitin deacetylase
Authors:Sasamoto, K, Himiyama, T, Moriyoshi, K, Ohmoto, T, Uegaki, K, Nishiya, Y, Nakamura, T.
Deposit date:2021-07-13
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis.
Acta Crystallogr.,Sect.F, 77, 2021
4BTH
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BU of 4bth by Molmil
The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl Homoserine Lactone Acylase PvdQ Has an Altered Substrate Specificity Towards Small Acyl Chains
Descriptor: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL
Authors:Koch, G, Nadal-Jimenez, P, Reis, C.R, Muntendam, R, Bokhove, M, Melillo, E, Dijkstra, B.W, Cool, R.H, Quax, W.J.
Deposit date:2013-06-18
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reducing Virulence of the Human Pathogen Burkholderia by Altering the Substrate Specificity of the Quorum-Quenching Acylase Pvdq
Proc.Natl.Acad.Sci.USA, 111, 2014
4B31
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BU of 4b31 by Molmil
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
Descriptor: CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE
Authors:Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J.
Deposit date:2012-07-20
Release date:2013-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Investigating the Active Centre of the Scytalidium Thermophilum Catalase
Acta Crystallogr.,Sect.F, 69, 2013
4EXM
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BU of 4exm by Molmil
The crystal structure of an engineered phage lysin containing the binding domain of pesticin and the killing domain of T4-lysozyme
Descriptor: Pesticin, Lysozyme Chimera
Authors:Seddiki, N, Noinaj, N, Fairman, J.W, Lukacik, P, Barnard, T.J, Buchanan, S.K.
Deposit date:2012-04-30
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
1IRB
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BU of 1irb by Molmil
CARBOXYLIC ESTER HYDROLASE
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-08-13
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface.
Biochemistry, 35, 1996
4GCE
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BU of 4gce by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 3
Descriptor: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2012-07-30
Release date:2013-01-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
8JIU
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BU of 8jiu by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
3EHB
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BU of 3ehb by Molmil
A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate
Descriptor: CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ...
Authors:Koepke, J, Mueller, H, Peng, G.
Deposit date:2008-09-12
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
7BYS
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BU of 7bys by Molmil
Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S.
Deposit date:2020-04-24
Release date:2020-11-04
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
7BYV
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BU of 7byv by Molmil
Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A E208Q with beta-1,3-galactotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Galactan 1,3-beta-galactosidase, ...
Authors:Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S.
Deposit date:2020-04-24
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
6DR7
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BU of 6dr7 by Molmil
YopH PTP1B WPD loop Chimera 2 PTPase bound to vanadate
Descriptor: ACETATE ION, Targeted effector protein, VANADATE ION
Authors:Moise, G, Morales, Y, Johnson, S.J, Hengge, A.C.
Deposit date:2018-06-11
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:A YopH PTP1B Chimera Shows the Importance of the WPD-Loop Sequence to the Activity, Structure, and Dynamics of Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
6DKW
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BU of 6dkw by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3.
Descriptor: 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide, Tyrosine-protein kinase receptor
Authors:Greasley, S.E, Brown, D.
Deposit date:2018-05-31
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
8LDH
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BU of 8ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor: CITRIC ACID, M4 APO-LACTATE DEHYDROGENASE
Authors:Abad-Zapatero, C, Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
6E18
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BU of 6e18 by Molmil
Crystal structure of Chlamydomonas reinhardtii HAP2 ectodomain provides structural insights of functional loops in green algae.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Baquero, E, Legrand, P, Rey, F.A.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Species-Specific Functional Regions of the Green Alga Gamete Fusion Protein HAP2 Revealed by Structural Studies.
Structure, 27, 2019
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024

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