4GY9
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![BU of 4gy9 by Molmil](/molmil-images/mine/4gy9) | Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-isopentenyladenine (2iP) | Descriptor: | MALONATE ION, MtN13 protein, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE, ... | Authors: | Ruszkowski, M, Sikorski, M, Jaskolski, M. | Deposit date: | 2012-09-05 | Release date: | 2013-09-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The landscape of cytokinin binding by a plant nodulin. Acta Crystallogr.,Sect.D, 69, 2013
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6ZRX
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![BU of 6zrx by Molmil](/molmil-images/mine/6zrx) | Crystal structure of 6-dimethylallyltryptophan synthase from Micromonospora olivasterospora in complex with DMASPP and Trp | Descriptor: | DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, ... | Authors: | Ostertag, E, Stehle, T, Zocher, G. | Deposit date: | 2020-07-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases. J.Mol.Biol., 433, 2020
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4H4I
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7SIU
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![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
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4GVT
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![BU of 4gvt by Molmil](/molmil-images/mine/4gvt) | Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide (hexagonal form) | Descriptor: | Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide | Authors: | Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L. | Deposit date: | 2012-08-31 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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7BU0
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7TJ9
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![BU of 7tj9 by Molmil](/molmil-images/mine/7tj9) | Cryo-EM structure of the human Nax channel in complex with beta3 solved in GDN | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J. | Deposit date: | 2022-01-14 | Release date: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel. Nat Commun, 13, 2022
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4H0L
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![BU of 4h0l by Molmil](/molmil-images/mine/4h0l) | Cytochrome b6f Complex Crystal Structure from Mastigocladus laminosus with n-Side Inhibitor NQNO | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, ... | Authors: | Hasan, S.S, Yamashita, E, Baniulis, D, Cramer, W.A. | Deposit date: | 2012-09-08 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex Proc.Natl.Acad.Sci.USA, 110, 2013
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4H4D
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![BU of 4h4d by Molmil](/molmil-images/mine/4h4d) | IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | Deposit date: | 2012-09-17 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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4IW8
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![BU of 4iw8 by Molmil](/molmil-images/mine/4iw8) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0375 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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7TX8
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![BU of 7tx8 by Molmil](/molmil-images/mine/7tx8) | Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Long form D7 salivary protein, SEROTONIN | Authors: | Andersen, J.F, Alvarenga, P.H. | Deposit date: | 2022-02-08 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes. Insect Biochem.Mol.Biol., 146, 2022
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7U1D
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4GXM
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4IVQ
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![BU of 4ivq by Molmil](/molmil-images/mine/4ivq) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVP
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![BU of 4ivp by Molmil](/molmil-images/mine/4ivp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4H44
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![BU of 4h44 by Molmil](/molmil-images/mine/4h44) | 2.70 A Cytochrome b6f Complex Structure From Nostoc PCC 7120 | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Hasan, S.S, Yamashita, E, Baniulis, D, Cramer, W.A. | Deposit date: | 2012-09-16 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex Proc.Natl.Acad.Sci.USA, 110, 2013
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4H4E
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![BU of 4h4e by Molmil](/molmil-images/mine/4h4e) | IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate | Descriptor: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | Deposit date: | 2012-09-17 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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4IVY
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![BU of 4ivy by Molmil](/molmil-images/mine/4ivy) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a | Descriptor: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4JBX
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![BU of 4jbx by Molmil](/molmil-images/mine/4jbx) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78 | Descriptor: | 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IMO
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![BU of 4imo by Molmil](/molmil-images/mine/4imo) | Crystal structure of wild type human Lipocalin PGDS in complex with substrate analog U44069 | Descriptor: | (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid, Lipocalin-type prostaglandin-D synthase, THIOCYANATE ION | Authors: | Lim, S.M, Chen, D, Teo, H, Roos, A, Nyman, T, Tresaugues, L, Pervushin, K, Nordlund, P. | Deposit date: | 2013-01-03 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and dynamic insights into substrate binding and catalysis of human lipocalin prostaglandin D synthase. J.Lipid Res., 54, 2013
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4FSF
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![BU of 4fsf by Molmil](/molmil-images/mine/4fsf) | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | Descriptor: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections. Bioorg.Med.Chem.Lett., 22, 2012
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4GIX
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![BU of 4gix by Molmil](/molmil-images/mine/4gix) | Crystal structure of human GLTP bound with 12:0 disulfatide | Descriptor: | Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide | Authors: | Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L. | Deposit date: | 2012-08-09 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4IW6
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![BU of 4iw6 by Molmil](/molmil-images/mine/4iw6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | Descriptor: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4JX8
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4H2Z
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![BU of 4h2z by Molmil](/molmil-images/mine/4h2z) | Crystal structure of human GLTP bound with 12:0 monosulfatide | Descriptor: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE, ... | Authors: | Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L. | Deposit date: | 2012-09-13 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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