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7WAF
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BU of 7waf by Molmil
Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS and 4x(beta-Asp-Arg)
Descriptor: 4x(beta-Asp-Arg), ARGININE, Cyanophycin synthase, ...
Authors:Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M.
Deposit date:2021-12-14
Release date:2022-09-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
7WAD
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BU of 7wad by Molmil
Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS
Descriptor: Cyanophycin synthase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M.
Deposit date:2021-12-14
Release date:2022-09-07
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
7WAE
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BU of 7wae by Molmil
Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS, 4x(beta-Asp-Arg), and aspartate
Descriptor: 4x(beta-Asp-Arg), ARGININE, ASPARTIC ACID, ...
Authors:Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M.
Deposit date:2021-12-14
Release date:2022-09-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
3HV0
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BU of 3hv0 by Molmil
Tryptophanyl-tRNA synthetase from Cryptosporidium parvum
Descriptor: TRYPTOPHAN, Tryptophanyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-15
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
4YRC
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BU of 4yrc by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
Descriptor: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
Descriptor: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ULV
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BU of 4ulv by Molmil
Cytochrome c prime from Shewanella frigidimarina
Descriptor: CYTOCHROME C, CLASS II, GLYCEROL, ...
Authors:Manole, A.A, Kekilli, D, Dobbin, P.S, Hough, M.A.
Deposit date:2014-05-14
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Control of the Binding of Diatomic Gases to Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
4UIR
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BU of 4uir by Molmil
Structure of oleate hydratase from Elizabethkingia meningoseptica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ...
Authors:Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K.
Deposit date:2015-04-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
4CXO
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BU of 4cxo by Molmil
bifunctional endonuclease in complex with ssDNA
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ENDONUCLEASE 2, SULFATE ION, ...
Authors:Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
Deposit date:2014-04-08
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
4UI6
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BU of 4ui6 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-47
Descriptor: 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4CXV
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BU of 4cxv by Molmil
Structure of bifunctional endonuclease (AtBFN2) in complex with phosphate.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ...
Authors:Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
Deposit date:2014-04-09
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
4UMG
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BU of 4umg by Molmil
Crystal structure of the Lin-41 filamin domain
Descriptor: PROTEIN LIN-41
Authors:Tocchini, C, Keusch, J.J, Miller, S.B, Finger, S, Gut, H, Stadler, M, Ciosk, R.
Deposit date:2014-05-16
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Trim-Nhl Protein Lin-41 Controls the Onset of Developmental Plasticity in Caenorhabditis Elegans.
Plos Genet., 10, 2014
4UHG
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BU of 4uhg by Molmil
Crystal structure of human tankyrase 2 in complex with TA-21
Descriptor: 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UZ1
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BU of 4uz1 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM III - 1.4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NOTUM, SULFATE ION
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4CVJ
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BU of 4cvj by Molmil
Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K
Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E.
Deposit date:2014-03-27
Release date:2014-07-16
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION
Cite:Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
4UVN
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BU of 4uvn by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one
Descriptor: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2014-08-07
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UW6
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BU of 4uw6 by Molmil
Human galectin-7 in complex with a galactose based dendron D3
Descriptor: DENDRON-D3, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4V7N
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BU of 4v7n by Molmil
Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp., with transition state analog Mg(II)-ADP-NO3-glycocyamine.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANIDINO ACETATE, Glycocyamine kinase beta chain, ...
Authors:Lim, K, Pullalarevu, S, Herzberg, O.
Deposit date:2009-12-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRR
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BU of 4yrr by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5GMF
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BU of 5gmf by Molmil
Crystal structure of monkey TLR7 in complex with guanosine and polyU
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2016-07-14
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
4D8N
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BU of 4d8n by Molmil
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
Descriptor: 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, Kallikrein-6
Authors:Chen, X, Xia, T, Wang, R.
Deposit date:2012-01-11
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Bioorg.Med.Chem.Lett., 22, 2012
4CH8
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BU of 4ch8 by Molmil
High-salt crystal structure of a thrombin-GpIbalpha peptide complex
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
Authors:Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
Deposit date:2013-11-29
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
8R1T
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BU of 8r1t by Molmil
Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024

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