8PI2
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8QME
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8Q52
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![BU of 8q52 by Molmil](/molmil-images/mine/8q52) | A PBP-like protein built from fragments of different folds | Descriptor: | Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION | Authors: | Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B. | Deposit date: | 2023-08-08 | Release date: | 2024-04-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular handcraft of a well-folded protein chimera. Febs Lett., 598, 2024
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8RHI
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![BU of 8rhi by Molmil](/molmil-images/mine/8rhi) | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | Authors: | Miguel-Ruano, V, Hermoso, J.A. | Deposit date: | 2023-12-15 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A. Int.J.Biol.Macromol., 267, 2024
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8R7G
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![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-11-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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8RHE
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8Q3L
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8RHF
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![BU of 8rhf by Molmil](/molmil-images/mine/8rhf) | Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains | Descriptor: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, DI(HYDROXYETHYL)ETHER, LysM peptidoglycan-binding domain-containing protein, ... | Authors: | Miguel-Ruano, V, Hermoso, J.A. | Deposit date: | 2023-12-15 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A. Int.J.Biol.Macromol., 267, 2024
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1O9A
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![BU of 1o9a by Molmil](/molmil-images/mine/1o9a) | Solution structure of the complex of 1F12F1 from fibronectin with B3 from FnBB from S. dysgalactiae | Descriptor: | FIBRONECTIN, FIBRONECTIN BINDING PROTEIN | Authors: | Schwarz-Linek, U, Werner, J.M, Pickford, A.R, Pilka, E.S, Gurusiddappa, S, Briggs, J.A.G, Hook, M, Campbell, I.D, Potts, J.R. | Deposit date: | 2002-12-11 | Release date: | 2003-05-08 | Last modified: | 2018-01-24 | Method: | SOLUTION NMR | Cite: | Pathogenic bacteria attach to human fibronectin through a tandem beta-zipper. Nature, 423, 2003
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1CWP
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![BU of 1cwp by Molmil](/molmil-images/mine/1cwp) | STRUCTURES OF THE NATIVE AND SWOLLEN FORMS OF COWPEA CHLOROTIC MOTTLE VIRUS DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-ELECTRON MICROSCOPY | Descriptor: | Coat protein, RNA (5'-R(*AP*U)-3'), RNA (5'-R(*AP*UP*AP*U)-3') | Authors: | Speir, J.A, Johnson, J.E, Munshi, S, Wang, G, Timothy, S, Baker, T.S. | Deposit date: | 1995-05-22 | Release date: | 1995-05-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy. Structure, 3, 1995
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7KRD
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![BU of 7krd by Molmil](/molmil-images/mine/7krd) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702) | Descriptor: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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7KRE
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![BU of 7kre by Molmil](/molmil-images/mine/7kre) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704) | Descriptor: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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7KRF
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![BU of 7krf by Molmil](/molmil-images/mine/7krf) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) | Descriptor: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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7KRC
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![BU of 7krc by Molmil](/molmil-images/mine/7krc) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | Descriptor: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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7L7F
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7L7K
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4UNR
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![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNN
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![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4U87
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![BU of 4u87 by Molmil](/molmil-images/mine/4u87) | Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group) | Descriptor: | BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M. | Deposit date: | 2014-08-01 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158. Sci Rep, 6, 2016
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4UNQ
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![BU of 4unq by Molmil](/molmil-images/mine/4unq) | Mtb TMK in complex with compound 36 | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNP
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![BU of 4unp by Molmil](/molmil-images/mine/4unp) | Mtb TMK in complex with compound 34 | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNS
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![BU of 4uns by Molmil](/molmil-images/mine/4uns) | Mtb TMK in complex with compound 40 | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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2HI3
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![BU of 2hi3 by Molmil](/molmil-images/mine/2hi3) | Solution structure of the homeodomain-only protein HOP | Descriptor: | Homeodomain-only protein | Authors: | Mackay, J.P, Kook, H, Epstein, J.A, Simpson, R.J, Yung, W.W. | Deposit date: | 2006-06-28 | Release date: | 2007-01-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Analysis of the structure and function of the transcriptional coregulator HOP Biochemistry, 45, 2006
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7OOL
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![BU of 7ool by Molmil](/molmil-images/mine/7ool) | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | Deposit date: | 2021-05-28 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression. J.Mol.Biol., 433, 2021
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7P3J
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![BU of 7p3j by Molmil](/molmil-images/mine/7p3j) | EED in complex with compound 4 | Descriptor: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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