5TWY
 
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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2PR3
 | | Factor XA inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-05-03 | | Release date: | 2007-08-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69, 2007
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7WXH
 | | GPR domain open form of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WXG
 | | GPR domain closed form of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WXI
 | | GPR domain of Drosophila P5CS filament with glutamate and ATPgammaS | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WXF
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7WX4
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7WX3
 | | GK domain of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE, ... | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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5TWU
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | Maternal embryonic leucine zipper kinase | | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | | Deposit date: | 2016-11-14 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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4S1G
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5KIY
 | | p97 ND1-A232E in complex with VIMP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ... | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
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5KIU
 | | VCP-interacting membrane protein (VIMP) | | Descriptor: | Selenoprotein S | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2016-06-17 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
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6ACB
 | | Crystal structure of PDE5 in complex with inhibitor LW1805 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-07-26 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-12-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | Descriptor: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-10-18 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality.
Acs Cent.Sci., 10, 2024
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6QWR
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7TJ8
 | | Cryo-EM structure of the human Nax channel in complex with beta3 solved in nanodiscs | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J. | | Deposit date: | 2022-01-14 | | Release date: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
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7TJ9
 | | Cryo-EM structure of the human Nax channel in complex with beta3 solved in GDN | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J. | | Deposit date: | 2022-01-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
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7U2L
 | | C5guano-uOR-Gi-scFv16 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Qu, Q, Skiniotis, G, Kobilka, B. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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7U2K
 | | C6-guano bound Mu Opioid Receptor-Gi Protein Complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Kobilka, B. | | Deposit date: | 2022-02-24 | | Release date: | 2022-12-07 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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5C74
 | | Structure of a novel protein arginine methyltransferase | | Descriptor: | NICKEL (II) ION, Protein arginine N-methyltransferase SFM1, SULFATE ION | | Authors: | Lv, F, Ding, J. | | Deposit date: | 2015-06-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for Sfm1 functioning as a protein arginine methyltransferase.
Cell Discov, 1, 2015
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6UX9
 | | Crystal Structure Analysis of PIP4K2A | | Descriptor: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-07 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
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4GRB
 | | Casein kinase 2 (CK2) bound to inhibitor | | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | | Deposit date: | 2012-08-24 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
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7LRD
 | | Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model | | Descriptor: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Fuller, J.R, Garvie, C.W, Lemke, C.T. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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7LRE
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