1DJM
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![BU of 1djm by Molmil](/molmil-images/mine/1djm) | SOLUTION STRUCTURE OF BEF3-ACTIVATED CHEY FROM ESCHERICHIA COLI | Descriptor: | CHEMOTAXIS PROTEIN Y | Authors: | Cho, H.S, Lee, S.Y, Yan, D, Pan, X, Parkinson, J.S, Kustu, S, Wemmer, D.E, Pelton, J.G. | Deposit date: | 1999-12-03 | Release date: | 2000-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of activated CheY. J.Mol.Biol., 297, 2000
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4N6Y
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![BU of 4n6y by Molmil](/molmil-images/mine/4n6y) | Pim1 Complexed with a phenylcarboxamide | Descriptor: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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1CR9
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![BU of 1cr9 by Molmil](/molmil-images/mine/1cr9) | CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 | Descriptor: | FAB ANTIBODY HEAVY CHAIN, FAB ANTIBODY LIGHT CHAIN | Authors: | Kanyo, Z.F, Pan, K.M, Williamson, R.A, Burton, D.R, Prusiner, S.B, Fletterick, R.J, Cohen, F.E. | Deposit date: | 1999-08-14 | Release date: | 2000-04-17 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibody binding defines a structure for an epitope that participates in the PrPC-->PrPSc conformational change. J.Mol.Biol., 293, 1999
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7NFF
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![BU of 7nff by Molmil](/molmil-images/mine/7nff) | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | Deposit date: | 2021-02-07 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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8DCP
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![BU of 8dcp by Molmil](/molmil-images/mine/8dcp) | PI 3-kinase alpha with nanobody 3-126 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DD4
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![BU of 8dd4 by Molmil](/molmil-images/mine/8dd4) | PI 3-kinase alpha with nanobody 3-142 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DD8
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![BU of 8dd8 by Molmil](/molmil-images/mine/8dd8) | PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DCX
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![BU of 8dcx by Molmil](/molmil-images/mine/8dcx) | PI 3-kinase alpha with nanobody 3-159 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DL7
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![BU of 8dl7 by Molmil](/molmil-images/mine/8dl7) | Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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8DL8
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![BU of 8dl8 by Molmil](/molmil-images/mine/8dl8) | Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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8DL6
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![BU of 8dl6 by Molmil](/molmil-images/mine/8dl6) | Cryo-EM structure of human ferroportin/slc40 bound to Ca2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, CALCIUM ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of Ca 2+ transport by ferroportin. Elife, 12, 2023
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8RRZ
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![BU of 8rrz by Molmil](/molmil-images/mine/8rrz) | Crystal structure of SYK kinase in complex with compound 1 | Descriptor: | GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK | Authors: | Canevari, G. | Deposit date: | 2024-01-24 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
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7JWV
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![BU of 7jwv by Molmil](/molmil-images/mine/7jwv) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWS
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![BU of 7jws by Molmil](/molmil-images/mine/7jws) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWU
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![BU of 7jwu by Molmil](/molmil-images/mine/7jwu) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWT
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![BU of 7jwt by Molmil](/molmil-images/mine/7jwt) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7KEO
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![BU of 7keo by Molmil](/molmil-images/mine/7keo) | Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment | Descriptor: | PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ... | Authors: | Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M. | Deposit date: | 2020-10-11 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle. Nat.Chem.Biol., 17, 2021
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7C8D
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![BU of 7c8d by Molmil](/molmil-images/mine/7c8d) | Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD | Descriptor: | Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION | Authors: | Gao, G.F, Wang, Q.H, Wu, L.l. | Deposit date: | 2020-05-29 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2. Cell Discov, 6, 2020
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4Z80
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![BU of 4z80 by Molmil](/molmil-images/mine/4z80) | |
4Z81
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![BU of 4z81 by Molmil](/molmil-images/mine/4z81) | |
7MGQ
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![BU of 7mgq by Molmil](/molmil-images/mine/7mgq) | AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans | Descriptor: | 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION | Authors: | Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A. | Deposit date: | 2021-04-13 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans. J.Biol.Chem., 298, 2022
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4UGQ
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![BU of 4ugq by Molmil](/molmil-images/mine/4ugq) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N''-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4ZSG
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![BU of 4zsg by Molmil](/molmil-images/mine/4zsg) | MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Tucker, J, Ogg, D.J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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4ZSJ
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![BU of 4zsj by Molmil](/molmil-images/mine/4zsj) | MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Tucker, J, Ogg, D.J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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4UGC
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![BU of 4ugc by Molmil](/molmil-images/mine/4ugc) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediyl))bis(4- methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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