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8OW3
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BU of 8ow3 by Molmil
Crystal structure of wild-type c-MET bound by compound 2
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-26
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-25
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8R3D
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BU of 8r3d by Molmil
Crystal structure of Pent only at pH 8.8
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
7QQB
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BU of 7qqb by Molmil
Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ...
Authors:Serris, A, Rey, F.A, Guardado-Calvo, P.
Deposit date:2022-01-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
8RIH
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BU of 8rih by Molmil
Crystal structure of the Saccharomyces cerevisiae URH1p riboside hydrolase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Uridine ribohydrolase
Authors:Degano, M, Carriles, A.A.
Deposit date:2023-12-18
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure-Function Insights into the Dual Role in Nucleobase and Nicotinamide Metabolism and a Possible Use in Cancer Gene Therapy of the URH1p Riboside Hydrolase.
Int J Mol Sci, 25, 2024
8R3C
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BU of 8r3c by Molmil
Cocrystal form II of the Pent - sulfonato-calix[8]arene complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8VWW
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BU of 8vww by Molmil
CCHFV GP38 bound to ADI-46152 and ADI-58048 Fabs
Descriptor: ADI-46152 Fab Heavy Chain, ADI-46152 Fab Light Chain, ADI-58048 Fab Heavy Chain, ...
Authors:Hjorth, C.K, McLellan, J.S.
Deposit date:2024-02-02
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
8VVK
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BU of 8vvk by Molmil
CCHFV GP38 bound to ADI-46143 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ...
Authors:Hjorth, C.K, McLellan, J.S.
Deposit date:2024-01-31
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
8VVL
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BU of 8vvl by Molmil
CCHFV GP38 bound to c13G8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hjorth, C.K, Mishra, A.K, McLellan, J.S.
Deposit date:2024-01-31
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
3PGA
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BU of 3pga by Molmil
STRUCTURAL CHARACTERIZATION OF PSEUDOMONAS 7A GLUTAMINASE-ASPARAGINASE
Descriptor: GLUTAMINASE-ASPARAGINASE
Authors:Lubkowski, J, Wlodawer, A, Ammon, H.L, Copeland, T.D, Swain, A.L.
Deposit date:1994-07-19
Release date:1994-12-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of Pseudomonas 7A glutaminase-asparaginase.
Biochemistry, 33, 1994
6HQU
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BU of 6hqu by Molmil
Humanised RadA mutant HumRadA22 in complex with a recombined BRC repeat 8-2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility, DNA repair and recombination protein RadA, ...
Authors:Pantelejevs, T, Lindenburg, L, Hyvonen, M, Hollfelder, F.
Deposit date:2018-09-25
Release date:2019-10-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats.
Proc.Natl.Acad.Sci.USA, 118, 2021
5EXB
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BU of 5exb by Molmil
Wild type green fluorescent protein DendFP (Dendronephthya sp.)
Descriptor: GLYCEROL, Green fluorescent protein
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2015-11-23
Release date:2016-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the fluorescent protein from Dendronephthya sp. in both green and photoconverted red forms.
Acta Crystallogr D Struct Biol, 72, 2016
5EXC
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BU of 5exc by Molmil
Photoconverted red fluorescent protein DendRFP
Descriptor: GLYCEROL, Green fluorescent protein, MAGNESIUM ION
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2015-11-23
Release date:2016-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the fluorescent protein from Dendronephthya sp. in both green and photoconverted red forms.
Acta Crystallogr D Struct Biol, 72, 2016
3OKA
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BU of 3oka by Molmil
Crystal structure of Corynebacterium glutamicum PimB' in complex with GDP-Man (triclinic crystal form)
Descriptor: GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
Authors:Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K.
Deposit date:2010-08-24
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
3OKC
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BU of 3okc by Molmil
Crystal structure of Corynebacterium glutamicum PimB' bound to GDP (orthorhombic crystal form)
Descriptor: GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE
Authors:Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K.
Deposit date:2010-08-24
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
5T1T
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BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1S
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BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
3OKP
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BU of 3okp by Molmil
Crystal structure of Corynebacterium glutamicum PimB' bound to GDP-Man (orthorhombic crystal form)
Descriptor: GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE
Authors:Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K.
Deposit date:2010-08-25
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
8AQF
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BU of 8aqf by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515
Descriptor: 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase
Authors:Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M.
Deposit date:2022-08-12
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
2PSZ
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BU of 2psz by Molmil
Structure of the PTP-like Phytase expressed by Selenomonas ruminantium at low ionic strength
Descriptor: GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2007-05-07
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
2PT0
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BU of 2pt0 by Molmil
Structure of Selenomonas ruminantium PTP-like phytase with the active site cysteine oxidized to cysteine-sulfonic acid
Descriptor: GLYCEROL, Myo-inositol hexaphosphate phosphohydrolase
Authors:Gruninger, R.J, Selinger, L.B, Mosimann, S.C.
Deposit date:2007-05-07
Release date:2008-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
Febs J., 275, 2008
4NZ0
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BU of 4nz0 by Molmil
The EMCV 3Dpol structure at 2.8A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Genome polyprotein
Authors:Vives-adrian, L, Ferrer-orta, C, Verdaguer, N.
Deposit date:2013-12-11
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site
J.Virol., 88, 2014
4NYZ
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BU of 4nyz by Molmil
The EMCV 3Dpol structure with altered motif A conformation at 2.15A resolution
Descriptor: GLUTAMINE, GLYCEROL, Genome polyprotein, ...
Authors:Vives-adrian, L, Lujan, C, Ferrer-orta, C, Verdaguer, N.
Deposit date:2013-12-11
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site
J.Virol., 88, 2014
1TXI
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BU of 1txi by Molmil
Crystal structure of the vdr ligand binding domain complexed to TX522
Descriptor: (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL, Vitamin D receptor
Authors:Moras, D, Rochel, N.
Deposit date:2004-07-05
Release date:2005-05-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Superagonistic Action of 14-epi-Analogs of 1,25-Dihydroxyvitamin D Explained by Vitamin D Receptor-Coactivator Interaction
Mol.Pharmacol., 67, 2005
7FC0
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BU of 7fc0 by Molmil
Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
Deposit date:2021-07-13
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022

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數據於2024-08-14公開中

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