6SM7
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![BU of 6sm7 by Molmil](/molmil-images/mine/6sm7) | Crystal structure of SLA Reductase YihU from E. Coli | Descriptor: | 3-sulfolactaldehyde reductase, BORIC ACID | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2019-08-21 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase Acs Catalysis, 2020
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5OHT
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![BU of 5oht by Molmil](/molmil-images/mine/5oht) | A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ | Descriptor: | CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5OHS
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![BU of 5ohs by Molmil](/molmil-images/mine/5ohs) | A GH31 family sulfoquinovosidase mutant D455N in complex with pNPSQ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ... | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5OHY
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![BU of 5ohy by Molmil](/molmil-images/mine/5ohy) | A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ | Descriptor: | 1,2-ETHANEDIOL, Alpha-glucosidase yihQ, PHOSPHATE ION, ... | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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1NLD
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![BU of 1nld by Molmil](/molmil-images/mine/1nld) | FAB FRAGMENT OF A NEUTRALIZING ANTIBODY DIRECTED AGAINST AN EPITOPE OF GP41 FROM HIV-1 | Descriptor: | FAB1583 | Authors: | Davies, C, Beauchamp, J.C, Emery, D, Rawas, A, Muirhead, H. | Deposit date: | 1996-07-02 | Release date: | 1996-12-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Fab fragment from a neutralizing monoclonal antibody directed against an epitope of gp41 from HIV-1. Acta Crystallogr.,Sect.D, 53, 1997
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7ZLG
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![BU of 7zlg by Molmil](/molmil-images/mine/7zlg) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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7ZLJ
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![BU of 7zlj by Molmil](/molmil-images/mine/7zlj) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in ternary complex with Dol25-P-C-Man and acceptor peptide, bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mao, R, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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7ZLI
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![BU of 7zli by Molmil](/molmil-images/mine/7zli) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with Dol25-P-Man and bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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7ZLH
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![BU of 7zlh by Molmil](/molmil-images/mine/7zlh) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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8D38
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![BU of 8d38 by Molmil](/molmil-images/mine/8d38) | Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus | Descriptor: | Purine nucleoside phosphorylase, SODIUM ION | Authors: | Given, F, Johnston, J, Crittenden, D, Moran, F, Johns, A. | Deposit date: | 2022-05-31 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'. Acta Crystallogr.,Sect.F, 78, 2022
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5WAL
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![BU of 5wal by Molmil](/molmil-images/mine/5wal) | |
5WEV
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![BU of 5wev by Molmil](/molmil-images/mine/5wev) | |
4IVD
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![BU of 4ivd by Molmil](/molmil-images/mine/4ivd) | JAK1 kinase (JH1 domain) in complex with compound 34 | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVA
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![BU of 4iva by Molmil](/molmil-images/mine/4iva) | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVB
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![BU of 4ivb by Molmil](/molmil-images/mine/4ivb) | JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | Descriptor: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVC
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![BU of 4ivc by Molmil](/molmil-images/mine/4ivc) | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | Descriptor: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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6NYH
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![BU of 6nyh by Molmil](/molmil-images/mine/6nyh) | Structure of human RIPK1 kinase domain in complex with GNE684 | Descriptor: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2019-02-11 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases. Cell Death Differ., 27, 2020
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4E4L
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![BU of 4e4l by Molmil](/molmil-images/mine/4e4l) | JAK1 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E4M
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![BU of 4e4m by Molmil](/molmil-images/mine/4e4m) | JAK2 kinase (JH1 domain) in complex with compound 30 | Descriptor: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E5W
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![BU of 4e5w by Molmil](/molmil-images/mine/4e5w) | JAK1 kinase (JH1 domain) in complex with compound 26 | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | Authors: | Murray, J.M. | Deposit date: | 2012-03-14 | Release date: | 2012-05-30 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E6D
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![BU of 4e6d by Molmil](/molmil-images/mine/4e6d) | JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | Descriptor: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Murray, J.M. | Deposit date: | 2012-03-15 | Release date: | 2012-05-30 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E4N
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![BU of 4e4n by Molmil](/molmil-images/mine/4e4n) | JAK1 kinase (JH1 domain) in complex with compound 49 | Descriptor: | Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate | Authors: | Eigenbrot, C. | Deposit date: | 2012-03-13 | Release date: | 2012-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E6Q
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![BU of 4e6q by Molmil](/molmil-images/mine/4e6q) | JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 | Descriptor: | 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | Authors: | Murray, J.M. | Deposit date: | 2012-03-15 | Release date: | 2012-05-30 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4EHZ
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![BU of 4ehz by Molmil](/molmil-images/mine/4ehz) | The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
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4EI4
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![BU of 4ei4 by Molmil](/molmil-images/mine/4ei4) | JAK1 kinase (JH1 domain) in complex with compound 20 | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
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