3SDM
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![BU of 3sdm by Molmil](/molmil-images/mine/3sdm) | Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. | Deposit date: | 2011-06-09 | Release date: | 2011-07-13 | Method: | X-RAY DIFFRACTION (6.6 Å) | Cite: | Cofactor-mediated conformational control in the bifunctional kinase/RNase Ire1. Bmc Biol., 9, 2011
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3SDJ
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![BU of 3sdj by Molmil](/molmil-images/mine/3sdj) | Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1 | Descriptor: | N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. | Deposit date: | 2011-06-09 | Release date: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structural and functional basis for RNA cleavage by Ire1. Bmc Biol., 9, 2011
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5TTS
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![BU of 5tts by Molmil](/molmil-images/mine/5tts) | Jak3 with covalent inhibitor 4 | Descriptor: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTV
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![BU of 5ttv by Molmil](/molmil-images/mine/5ttv) | Jak3 with covalent inhibitor 6 | Descriptor: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTU
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![BU of 5ttu by Molmil](/molmil-images/mine/5ttu) | Jak3 with covalent inhibitor 7 | Descriptor: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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1SRX
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![BU of 1srx by Molmil](/molmil-images/mine/1srx) | |
2M1R
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![BU of 2m1r by Molmil](/molmil-images/mine/2m1r) | PHD domain of ING4 N214D mutant | Descriptor: | Inhibitor of growth protein 4, ZINC ION | Authors: | Blanco, F.J. | Deposit date: | 2012-12-05 | Release date: | 2012-12-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Functional impact of cancer-associated mutations in the tumor suppressor protein ING4. Carcinogenesis, 31, 2010
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7D7V
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![BU of 7d7v by Molmil](/molmil-images/mine/7d7v) | |
7D7Z
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![BU of 7d7z by Molmil](/molmil-images/mine/7d7z) | |
7CXD
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![BU of 7cxd by Molmil](/molmil-images/mine/7cxd) | Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 space group | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, BROMIDE ION, Galectin-3 | Authors: | Kumar, A. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology, 31, 2021
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7DF6
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![BU of 7df6 by Molmil](/molmil-images/mine/7df6) | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | Authors: | Ghosh, K, Kumar, A. | Deposit date: | 2020-11-06 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J.Med.Chem., 64, 2021
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7DF5
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![BU of 7df5 by Molmil](/molmil-images/mine/7df5) | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | Authors: | Ghosh, K, Kumar, A. | Deposit date: | 2020-11-06 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J.Med.Chem., 64, 2021
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7XFA
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![BU of 7xfa by Molmil](/molmil-images/mine/7xfa) | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Shukla, J, Raman, S, Ghosh, K. | Deposit date: | 2022-04-01 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3. J.Med.Chem., 65, 2022
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7D7X
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7D7W
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![BU of 7d7w by Molmil](/molmil-images/mine/7d7w) | |
7D82
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![BU of 7d82 by Molmil](/molmil-images/mine/7d82) | |
7D81
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![BU of 7d81 by Molmil](/molmil-images/mine/7d81) | |
7D7Y
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8HZD
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![BU of 8hzd by Molmil](/molmil-images/mine/8hzd) | A new fluorescent RNA aptamer bound with N618 | Descriptor: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER) | Authors: | Song, Q.Q, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZJ
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![BU of 8hzj by Molmil](/molmil-images/mine/8hzj) | A new fluorescent RNA aptamer bound with N571 | Descriptor: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZE
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![BU of 8hze by Molmil](/molmil-images/mine/8hze) | A new fluorescent RNA aptamer bound with N | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZM
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![BU of 8hzm by Molmil](/molmil-images/mine/8hzm) | A new fluorescent RNA aptamer bound with N, manganese soak | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZF
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![BU of 8hzf by Molmil](/molmil-images/mine/8hzf) | A new fluorescent RNA aptamer bound with N565 | Descriptor: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZK
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![BU of 8hzk by Molmil](/molmil-images/mine/8hzk) | A new fluorescent RNA aptamer bound with N, iridium hexammine soak | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, DI(HYDROXYETHYL)ETHER, IRIDIUM HEXAMMINE ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZL
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![BU of 8hzl by Molmil](/molmil-images/mine/8hzl) | A new fluorescent RNA aptamer_III bound with N | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, MAGNESIUM ION, RNA (84-MER) | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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