7RMS
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![BU of 7rms by Molmil](/molmil-images/mine/7rms) | Crystal structure of [I11G]cycloviolacin O2 | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | Deposit date: | 2021-07-28 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides. Molecules, 26, 2021
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7RJF
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![BU of 7rjf by Molmil](/molmil-images/mine/7rjf) | MOPD-1 mutant-L47W | Descriptor: | MALONATE ION, ZINC ION, [L47W]MOPD-1 | Authors: | Huawu, Y, Conan, K.W, Gordon, J.K, Brett, M.C, Yen-Hua, H, David, J.C. | Deposit date: | 2021-07-20 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Design of Potent Peptide Inhibitors of the PD-1:PD-L1 Interaction for Cancer Immunotherapy. J.Am.Chem.Soc., 143, 2021
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4NKN
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![BU of 4nkn by Molmil](/molmil-images/mine/4nkn) | |
4OE9
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![BU of 4oe9 by Molmil](/molmil-images/mine/4oe9) | |
3KPY
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![BU of 3kpy by Molmil](/molmil-images/mine/3kpy) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, 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
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3KQV
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![BU of 3kqv by Molmil](/molmil-images/mine/3kqv) | Crystal Structure of hPNMT in Complex AdoHcy and Formanilide | Descriptor: | FORMANILIDE, 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
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3KR2
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![BU of 3kr2 by Molmil](/molmil-images/mine/3kr2) | |
3KPW
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![BU of 3kpw by Molmil](/molmil-images/mine/3kpw) | Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline | Descriptor: | ISOQUINOLIN-1-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 (2.4 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
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3KQP
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![BU of 3kqp by Molmil](/molmil-images/mine/3kqp) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline | Descriptor: | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine | 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
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3KQT
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3KPU
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![BU of 3kpu by Molmil](/molmil-images/mine/3kpu) | Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol | Descriptor: | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol | 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
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3KR0
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![BU of 3kr0 by Molmil](/molmil-images/mine/3kr0) | |
3KQM
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![BU of 3kqm by Molmil](/molmil-images/mine/3kqm) | 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
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3KQS
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![BU of 3kqs by Molmil](/molmil-images/mine/3kqs) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole | Descriptor: | 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 (2.005 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
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3KPJ
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![BU of 3kpj by Molmil](/molmil-images/mine/3kpj) | 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
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3KQW
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![BU of 3kqw by Molmil](/molmil-images/mine/3kqw) | Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole | Descriptor: | 5-chloro-1H-benzimidazole, 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 (2.486 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
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3KPV
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![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | 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
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3KQQ
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![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | 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
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3KQY
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![BU of 3kqy by Molmil](/molmil-images/mine/3kqy) | |
3KQO
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![BU of 3kqo by Molmil](/molmil-images/mine/3kqo) | 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
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3KR1
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![BU of 3kr1 by Molmil](/molmil-images/mine/3kr1) | |
4DM3
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![BU of 4dm3 by Molmil](/molmil-images/mine/4dm3) | Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole | Descriptor: | IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ... | Authors: | Nair, P.C, Malde, A.K, Mark, A.E. | Deposit date: | 2012-02-06 | Release date: | 2012-04-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4001 Å) | Cite: | Missing fragments: detecting cooperative binding in fragment-based drug design. ACS Med Chem Lett, 3, 2012
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6TL0
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![BU of 6tl0 by Molmil](/molmil-images/mine/6tl0) | Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with VARP 687-747 | Descriptor: | Ankyrin repeat domain-containing protein 27, Vacuolar protein sorting-associated protein 29, ZINC ION | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Crawley-Snowdon, H. | Deposit date: | 2019-11-29 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29. Nat Commun, 11, 2020
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2XA7
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![BU of 2xa7 by Molmil](/molmil-images/mine/2xa7) | AP2 clathrin adaptor core in active complex with cargo peptides | Descriptor: | ADAPTOR-RELATED PROTEIN COMPLEX 2, ALPHA 2 SUBUNIT, AP-2 COMPLEX SUBUNIT BETA, ... | Authors: | Jackson, L.P, Kelly, B.T, McCoy, A.J, Evans, P.R, Owen, D.J. | Deposit date: | 2010-03-29 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Large Scale Conformational Change Couples Membrane Recruitment to Cargo Binding in the Ap2 Clathrin Adaptor Complex Cell(Cambridge,Mass.), 141, 2010
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3QBC
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![BU of 3qbc by Molmil](/molmil-images/mine/3qbc) | |