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3KQM
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BU of 3kqm by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole
Descriptor: 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
8JIS
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BU of 8jis by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist peptide15-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 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:2023-11-08
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
3KPJ
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BU of 3kpj by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
Descriptor: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-16
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Descriptor: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Descriptor: 2-amino-1H-benzimidazol-7-ol, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
Descriptor: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
Descriptor: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
7UMH
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BU of 7umh by Molmil
Energetic robustness to large scale structural dynamics in a photosynthetic supercomplex
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Harris, D, Toporik, H, Schlau-Cohen, G.S, Mazor, Y.
Deposit date:2022-04-07
Release date:2023-05-17
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Energetic robustness to large scale structural fluctuations in a photosynthetic supercomplex.
Nat Commun, 14, 2023
5TBW
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BU of 5tbw by Molmil
Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D.
Deposit date:2016-09-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides.
Nat Chem, 9, 2017
4ROF
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BU of 4rof by Molmil
Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide
Descriptor: E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-10-28
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide
To be Published
4UQJ
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BU of 4uqj by Molmil
Cryo-EM density map of GluA2em in complex with ZK200775
Descriptor: GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
3BQJ
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BU of 3bqj by Molmil
VA387 polypeptide
Descriptor: va387 polypeptide
Authors:Bu, W, Mamedova, A, Tan, M, Jiang, J, Hegde, R.
Deposit date:2007-12-20
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
4UQK
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BU of 4uqk by Molmil
Electron density map of GluA2em in complex with quisqualate and LY451646
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (16.4 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LIF
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BU of 5lif by Molmil
Thermolysin in complex with inhibitor
Descriptor: (2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin.
ACS Chem. Biol., 12, 2017
8H77
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BU of 8h77 by Molmil
Hsp90-AhR-p23-XAP2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
Deposit date:2022-10-19
Release date:2023-01-04
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
7QWU
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BU of 7qwu by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 44
Descriptor: 1,2-ETHANEDIOL, 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-25
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
3KOK
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BU of 3kok by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KOI
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BU of 3koi by Molmil
Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
Descriptor: COBALT (III) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KON
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BU of 3kon by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KW0
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BU of 3kw0 by Molmil
Crystal structure of Cysteine peptidase (NP_982244.1) from BACILLUS CEREUS ATCC 10987 at 2.50 A resolution
Descriptor: CHLORIDE ION, Cysteine peptidase, LYSINE
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-30
Release date:2009-12-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Papain-Like NlpC/P60 Superfamily Enzymes with a Circularly Permuted Topology Reveals Potential Lipid Binding Sites.
Plos One, 6, 2011
7QYT
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BU of 7qyt by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 80
Descriptor: 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-29
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QZI
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BU of 7qzi by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113
Descriptor: (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ...
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-31
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7ALJ
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BU of 7alj by Molmil
Structure of Drosophila Notch EGF domains 11-13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021

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數據於2024-10-09公開中

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