7L50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l50 by Molmil](/molmil-images/mine/7l50) | Crystal structure of human monoacylglycerol lipase in complex with compound 4f | Descriptor: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
|
|
4XAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xau by Molmil](/molmil-images/mine/4xau) | Crystal structure of AtS13 from Actinomadura melliaura | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase | Authors: | Wang, F, Singh, S, Xu, W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-12-15 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0012 Å) | Cite: | Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis. Proteins, 83, 2015
|
|
4Y1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y1w by Molmil](/molmil-images/mine/4y1w) | |
2R2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r2l by Molmil](/molmil-images/mine/2r2l) | Structure of Farnesyl Protein Transferase bound to PB-93 | Descriptor: | FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ... | Authors: | Strickland, C.O, Voorhis, W. | Deposit date: | 2007-08-27 | Release date: | 2008-03-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob.Agents Chemother., 51, 2007
|
|
2RD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rd7 by Molmil](/molmil-images/mine/2rd7) | Human Complement Membrane Attack Proteins Share a Common Fold with Bacterial Cytolysins | Descriptor: | CHLORIDE ION, Complement component C8 alpha chain, Complement component C8 gamma chain | Authors: | Slade, D.J, Lovelace, L.L, Chruszcz, M, Minor, W, Lebioda, L, Sodetz, J.M. | Deposit date: | 2007-09-21 | Release date: | 2008-05-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of human C8 protein provides mechanistic insight into membrane pore formation by complement. J. Biol. Chem., 286, 2011
|
|
2RJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rjk by Molmil](/molmil-images/mine/2rjk) | Crystal Structure of Human TL1A Extracellular Domain C95S Mutant | Descriptor: | TNF superfamily ligand TL1A | Authors: | Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Ramagopal, U.A, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-10-15 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and structural characterization of the human TL1A ectodomain. Biochemistry, 48, 2009
|
|
4YAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yax by Molmil](/molmil-images/mine/4yax) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | Descriptor: | GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
|
|
2RTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rtu by Molmil](/molmil-images/mine/2rtu) | Solution structure of oxidized human HMGB1 A box | Descriptor: | High mobility group protein B1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA. Biochem.Biophys.Res.Commun., 441, 2013
|
|
7THS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ths by Molmil](/molmil-images/mine/7ths) | Macrocyclic plasmin inhibitor | Descriptor: | (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ... | Authors: | Guojie, W. | Deposit date: | 2022-01-12 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023
|
|
4Z30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z30 by Molmil](/molmil-images/mine/4z30) | Crystal structure of the ROQ domain of human Roquin-2 | Descriptor: | Roquin-2, UNKNOWN ATOM OR ION | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-30 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins. Sci Rep, 5, 2015
|
|
4Z3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3c by Molmil](/molmil-images/mine/4z3c) | Zinc finger region of human TET3 in complex with CpG DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ... | Authors: | Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-31 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 2017
|
|
7LGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lgs by Molmil](/molmil-images/mine/7lgs) | |
7M16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m16 by Molmil](/molmil-images/mine/7m16) | Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) | Descriptor: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 | Authors: | Johnson, J.A, Pomerantz, W. | Deposit date: | 2021-03-12 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors ACS Med. Chem. Lett., 10, 2019
|
|
7UAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uah by Molmil](/molmil-images/mine/7uah) | Macrocyclic plasmin inhibitor | Descriptor: | (2~{R})-butane-1,2-diol, (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, Plasminogen, ... | Authors: | Guojie, W. | Deposit date: | 2022-03-12 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023
|
|
2RUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ruq by Molmil](/molmil-images/mine/2ruq) | solution structure of human Pin1 PPIase mutant C113A | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2015-01-20 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase Biochemistry, 54, 2015
|
|
4Z5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z5s by Molmil](/molmil-images/mine/4z5s) | |
7UYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyk by Molmil](/molmil-images/mine/7uyk) | Structure of RNF31 in complex with FP06655, a Helicon Polypeptide | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06655, ... | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | Deposit date: | 2022-05-06 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uy2 by Molmil](/molmil-images/mine/7uy2) | Structure of RNF31 in complex with FP06649, a Helicon Polypeptide | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06649, ... | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | Deposit date: | 2022-05-06 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uyj by Molmil](/molmil-images/mine/7uyj) | Structure of RNF31 in complex with FP06652, a Helicon Polypeptide | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06652, ... | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | Deposit date: | 2022-05-06 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7TZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tzc by Molmil](/molmil-images/mine/7tzc) | A drug and ATP binding site in type 1 ryanodine receptor | Descriptor: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Melville, Z, Dridi, H, Yuan, Q, Reiken, S, Anetta, W, Liu, Y, Clarke, O.B, Marks, A.R. | Deposit date: | 2022-02-15 | Release date: | 2022-05-18 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | A drug and ATP binding site in type 1 ryanodine receptor. Structure, 30, 2022
|
|
4YAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yat by Molmil](/molmil-images/mine/4yat) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) | Descriptor: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-17 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
|
|
4YBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ybt by Molmil](/molmil-images/mine/4ybt) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) | Descriptor: | DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-19 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
|
|
4YC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yc6 by Molmil](/molmil-images/mine/4yc6) | CDK1/CKS1 | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1 | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2015-02-19 | Release date: | 2015-05-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK. Nat Commun, 6, 2015
|
|
2UX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ux1 by Molmil](/molmil-images/mine/2ux1) | Identification of two zinc-binding sites in the Streptococcus suis Dpr protein | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Havukainen, H, Kauko, A, Pulliainen, A.T, Haataja, S, Meyer-Klaucke, W, Finne, J, Papageorgiou, A.C. | Deposit date: | 2007-03-26 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of the Zinc- and Terbium-Mediated Inhibition of Ferroxidase Activity in Dps Ferritin- Like Proteins. Protein Sci., 17, 2008
|
|
4YC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yc9 by Molmil](/molmil-images/mine/4yc9) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) | Descriptor: | GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-19 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
|
|