5D0Q
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![BU of 5d0q by Molmil](/molmil-images/mine/5d0q) | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
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5D0O
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![BU of 5d0o by Molmil](/molmil-images/mine/5d0o) | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
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6XZ8
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![BU of 6xz8 by Molmil](/molmil-images/mine/6xz8) | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | Descriptor: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | Deposit date: | 2020-02-03 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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6XZ9
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![BU of 6xz9 by Molmil](/molmil-images/mine/6xz9) | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | Descriptor: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | Deposit date: | 2020-02-03 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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5GS4
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![BU of 5gs4 by Molmil](/molmil-images/mine/5gs4) | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | Authors: | Xie, M, Wang, T, Li, Z.-G. | Deposit date: | 2016-08-13 | Release date: | 2017-08-30 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
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5GTR
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![BU of 5gtr by Molmil](/molmil-images/mine/5gtr) | |
4G2W
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![BU of 4g2w by Molmil](/molmil-images/mine/4g2w) | Crystal structure of PDE5A in complex with its inhibitor | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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4G2Y
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![BU of 4g2y by Molmil](/molmil-images/mine/4g2y) | Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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5NHF
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![BU of 5nhf by Molmil](/molmil-images/mine/5nhf) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHJ
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![BU of 5nhj by Molmil](/molmil-images/mine/5nhj) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHP
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![BU of 5nhp by Molmil](/molmil-images/mine/5nhp) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHL
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![BU of 5nhl by Molmil](/molmil-images/mine/5nhl) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHH
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![BU of 5nhh by Molmil](/molmil-images/mine/5nhh) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHO
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![BU of 5nho by Molmil](/molmil-images/mine/5nho) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHV
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![BU of 5nhv by Molmil](/molmil-images/mine/5nhv) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NGU
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![BU of 5ngu by Molmil](/molmil-images/mine/5ngu) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-20 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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7MY2
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![BU of 7my2 by Molmil](/molmil-images/mine/7my2) | |
7MY3
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![BU of 7my3 by Molmil](/molmil-images/mine/7my3) | |
6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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8I4W
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![BU of 8i4w by Molmil](/molmil-images/mine/8i4w) | Cryo-EM structure of 5-subunit Smc5/6 head region | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2023-01-21 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.01 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4V
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![BU of 8i4v by Molmil](/molmil-images/mine/8i4v) | Cryo-EM structure of 5-subunit Smc5/6 arm region | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | Deposit date: | 2023-01-21 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (5.97 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4X
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![BU of 8i4x by Molmil](/molmil-images/mine/8i4x) | Cryo-EM structure of 5-subunit Smc5/6 | Descriptor: | E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2023-01-21 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I13
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![BU of 8i13 by Molmil](/molmil-images/mine/8i13) | Cryo-EM structure of 6-subunit Smc5/6 | Descriptor: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2023-01-12 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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6TH2
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![BU of 6th2 by Molmil](/molmil-images/mine/6th2) | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2019-11-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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