6Q3C
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![BU of 6q3c by Molmil](/molmil-images/mine/6q3c) | CDK2 in complex with FragLite1 | Descriptor: | 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q3B
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![BU of 6q3b by Molmil](/molmil-images/mine/6q3b) | CDK2 in complex with FragLite2 | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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4EXB
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![BU of 4exb by Molmil](/molmil-images/mine/4exb) | |
4ES6
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![BU of 4es6 by Molmil](/molmil-images/mine/4es6) | |
6PT8
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![BU of 6pt8 by Molmil](/molmil-images/mine/6pt8) | Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid | Descriptor: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I. | Deposit date: | 2019-07-15 | Release date: | 2020-07-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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2LGI
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![BU of 2lgi by Molmil](/molmil-images/mine/2lgi) | Atomic Resolution Protein Structures using NMR Chemical Shift Tensors | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Wylie, B.J, Sperling, L.J, Nieuwkoop, A.J, Franks, W.T, Oldfield, E, Rienstra, C.M. | Deposit date: | 2011-07-26 | Release date: | 2011-10-26 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Ultrahigh resolution protein structures using NMR chemical shift tensors. Proc.Natl.Acad.Sci.USA, 108, 2011
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2LHG
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![BU of 2lhg by Molmil](/molmil-images/mine/2lhg) | GB98-T25I solution structure | Descriptor: | GB98 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2011-08-08 | Release date: | 2012-02-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
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6Q48
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![BU of 6q48 by Molmil](/molmil-images/mine/6q48) | CDK2 in complex with FragLite7 | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4H
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![BU of 6q4h by Molmil](/molmil-images/mine/6q4h) | CDK2 in complex with FragLite36 | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6PTF
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![BU of 6ptf by Molmil](/molmil-images/mine/6ptf) | Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State | Descriptor: | UPF0284 protein MJ1598 | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2019-07-15 | Release date: | 2020-07-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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2LHC
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![BU of 2lhc by Molmil](/molmil-images/mine/2lhc) | Ga98 solution structure | Descriptor: | Ga98 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2011-08-08 | Release date: | 2012-02-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
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6PU6
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![BU of 6pu6 by Molmil](/molmil-images/mine/6pu6) | CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide | Descriptor: | ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2019-07-17 | Release date: | 2020-07-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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6Q4E
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![BU of 6q4e by Molmil](/molmil-images/mine/6q4e) | CDK2 in complex with FragLite33 | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4K
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![BU of 6q4k by Molmil](/molmil-images/mine/6q4k) | CDK2 in complex with FragLite38 | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6QH2
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![BU of 6qh2 by Molmil](/molmil-images/mine/6qh2) | |
6QFP
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![BU of 6qfp by Molmil](/molmil-images/mine/6qfp) | |
2LDD
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![BU of 2ldd by Molmil](/molmil-images/mine/2ldd) | Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP6 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-21 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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4FZB
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![BU of 4fzb by Molmil](/molmil-images/mine/4fzb) | Structure of thymidylate synthase ThyX complexed to a new inhibitor | Descriptor: | 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Basta, T, Boum, Y, Briffotaux, J, Becker, H.F, Lamarre-Jouenne, I, Lambry, J.C, Skouloubris, S, Liebl, U, van Tilbeurgh, H, Graille, M, Myllylkallio, H. | Deposit date: | 2012-07-06 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Mechanistic and structural basis for inhibition of thymidylate synthase ThyX. Open Biology, 2, 2012
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2LHD
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![BU of 2lhd by Molmil](/molmil-images/mine/2lhd) | GB98 solution structure | Descriptor: | GB98 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2011-08-08 | Release date: | 2012-02-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
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2LDA
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![BU of 2lda by Molmil](/molmil-images/mine/2lda) | Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP2 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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4DOL
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![BU of 4dol by Molmil](/molmil-images/mine/4dol) | |
6QXH
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![BU of 6qxh by Molmil](/molmil-images/mine/6qxh) | |
2LWV
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![BU of 2lwv by Molmil](/molmil-images/mine/2lwv) | |