7L63
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8VKF
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4L6Q
| ROCK2 in complex with benzoxaborole | Descriptor: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2 | Authors: | Rock, F, Jarnagin, K. | Deposit date: | 2013-06-12 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors. J.Pharmacol.Exp.Ther., 347, 2013
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9EX0
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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9G9R
| Crystal structure of PbdA bound to p-ethylbenzoate | Descriptor: | 4-ethylbenzoic acid, Cytochrome P450 CYP199, GLYCEROL, ... | Authors: | Hinchen, D.J, Wolf, M.E, Eltis, L.D, McGeehan, J.E. | Deposit date: | 2024-07-25 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Characterization of a cytochrome P450 that catalyzes the O-demethylation of lignin-derived benzoates. J.Biol.Chem., 2024
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8WP9
| Small-heat shock protein from Methanocaldococcus jannaschii, Hsp16.5 | Descriptor: | Small heat shock protein HSP16.5 | Authors: | Lee, J, Ryu, B, Kim, T, Kim, K.K. | Deposit date: | 2023-10-09 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryo-EM structure of a 16.5-kDa small heat-shock protein from Methanocaldococcus jannaschii. Int.J.Biol.Macromol., 258, 2024
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7BTI
| Phalloidin bound F-actin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kumari, A, Ragunath, V.K, Sirajuddin, M. | Deposit date: | 2020-04-01 | Release date: | 2020-05-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into actin filament recognition by commonly used cellular actin markers. Embo J., 39, 2020
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8ZTX
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b | Descriptor: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-07 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.70033228 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZUD
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f | Descriptor: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-08 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.50510085 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZJV
| Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | Deposit date: | 2024-05-15 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin To Be Published
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8VX0
| CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Shah, M.B. | Deposit date: | 2024-02-02 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024
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8VZ7
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8WJ1
| cryo-EM structure of human haemoglobin in oxy form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | Deposit date: | 2023-09-25 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM. Nat Commun, 15, 2024
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8XBI
| Human GPR34 -Gi complex bound to M1, receptor focused | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Probable G-protein coupled receptor 34 | Authors: | Kawahara, R, Shihoya, W, Nureki, O. | Deposit date: | 2023-12-06 | Release date: | 2023-12-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis for lysophosphatidylserine recognition by GPR34. Nat Commun, 15, 2024
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9FYF
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-07-03 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 To Be Published
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8WIY
| cryo-EM structure of alligator haemoglobin in oxy form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | Deposit date: | 2023-09-25 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM. Nat Commun, 15, 2024
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8X23
| The Crystal Structure of MAPK13 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of MAPK13 from Biortus. To Be Published
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9BKF
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7KVJ
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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8XFM
| The Crystal Structure of MNK2 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one, MAP kinase-interacting serine/threonine-protein kinase 2, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of MNK2 from Biortus. To Be Published
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9IMA
| Cryo-EM structure for the GPRC5D complexed with Talquetamab Fab | Descriptor: | CHOLESTEROL, G-protein coupled receptor family C group 5 member D, Talquetamab Fab (anti-GPRC5D) Heavy chain, ... | Authors: | Jeong, J, Shin, J, Park, J, Cho, Y. | Deposit date: | 2024-07-02 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structural Basis for the Recognition of GPRC5D by Talquetamab, a Bispecific Antibody for Multiple Myeloma. J.Mol.Biol., 436, 2024
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9BJK
| Inactive mu opioid receptor bound to Nb6, naloxone and NAM | Descriptor: | Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ... | Authors: | O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K. | Deposit date: | 2024-04-25 | Release date: | 2024-07-17 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | A mu-opioid receptor modulator that works cooperatively with naloxone. Nature, 631, 2024
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9CTX
| X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | Authors: | Hayashi, H, Yedidi, R, Bulut, H, Das, D, Mitsuya, H. | Deposit date: | 2024-07-25 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Secondary amino-acid substitutions contribute to the emergence of HIV protease inhibitor resistance as directly as primary amino-acid substitutions. To Be Published
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9EX1
| X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 63, 2024
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8VSK
| Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol | Descriptor: | 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ... | Authors: | Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S. | Deposit date: | 2024-01-24 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.515 Å) | Cite: | Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B. Biochemistry, 63, 2024
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