7RXT
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![BU of 7rxt by Molmil](/molmil-images/mine/7rxt) | Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXR
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![BU of 7rxr by Molmil](/molmil-images/mine/7rxr) | Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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4EJN
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![BU of 4ejn by Molmil](/molmil-images/mine/4ejn) | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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8TYP
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![BU of 8typ by Molmil](/molmil-images/mine/8typ) | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | Descriptor: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Geisbrecht, B.V. | Deposit date: | 2023-08-25 | Release date: | 2023-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs. J Immunol., 212, 2024
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8OZB
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![BU of 8ozb by Molmil](/molmil-images/mine/8ozb) | Crystal structure of Nup35-Nb complex | Descriptor: | Nucleoporin NUP35, Nup35 nanobody | Authors: | Srinivasan, V. | Deposit date: | 2023-05-08 | Release date: | 2024-02-28 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 43, 2024
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7ZOX
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![BU of 7zox by Molmil](/molmil-images/mine/7zox) | Nup93 in complex with xhNup93-Nb4i and xNup93-Nb2t | Descriptor: | Nuclear pore complex protein Nup93, xNup93-Nb2t, xhNup93-Nb4i | Authors: | Fu, Z, Guttler, T, Colom, M.S. | Deposit date: | 2022-04-26 | Release date: | 2023-11-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 2024
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5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVN
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![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | Descriptor: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVM
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![BU of 5gvm by Molmil](/molmil-images/mine/5gvm) | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | Descriptor: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVK
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![BU of 5gvk by Molmil](/molmil-images/mine/5gvk) | Plasmodium vivax SHMT bound with PLP-glycine and GS256 | Descriptor: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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8CDT
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![BU of 8cdt by Molmil](/molmil-images/mine/8cdt) | |
8CDS
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![BU of 8cds by Molmil](/molmil-images/mine/8cds) | Crystal structure of the xhNup93-Nb4i VHH antibody | Descriptor: | 1,2-ETHANEDIOL, 5-Nup93 inhibitory VHH antibody, DI(HYDROXYETHYL)ETHER | Authors: | Guttler, T, Colom, M.S, Gorlich, D. | Deposit date: | 2023-02-01 | Release date: | 2024-02-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 43, 2024
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7R9C
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![BU of 7r9c by Molmil](/molmil-images/mine/7r9c) | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-06-29 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7MJU
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![BU of 7mju by Molmil](/molmil-images/mine/7mju) | |