7JXB
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![BU of 7jxb by Molmil](/molmil-images/mine/7jxb) | The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 | Descriptor: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | Deposit date: | 2020-08-27 | Release date: | 2022-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
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7A70
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![BU of 7a70 by Molmil](/molmil-images/mine/7a70) | HEW lysozyme in complex with Ti(OH)4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | Authors: | Calderone, V, Gigli, L, Ravera, E, Luchinat, C. | Deposit date: | 2020-08-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme. Biomolecules, 11, 2020
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7CVR
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![BU of 7cvr by Molmil](/molmil-images/mine/7cvr) | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine | Descriptor: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-08-26 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
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7JWR
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7JX2
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7JWX
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![BU of 7jwx by Molmil](/molmil-images/mine/7jwx) | Crystal Structure of Trypsin Bound O-methyl Benzamidine | Descriptor: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Packianathan, C, Laganowsky, A. | Deposit date: | 2020-08-26 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist. Org.Biomol.Chem., 20, 2022
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7CVJ
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7CVL
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7A68
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![BU of 7a68 by Molmil](/molmil-images/mine/7a68) | proteinase K crystallized from 0.5 M NaNO3 | Descriptor: | Proteinase K, SODIUM ION | Authors: | Ilina, K.B, Kulikov, A.G, Timofeev, V.I, Marchenkova, M.A, Pisarevsky, Y.V, Kovalchuk, M.V. | Deposit date: | 2020-08-25 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | proteinase K crystallized from 0.5 M NaNO3 To Be Published
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7A6O
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7JWD
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![BU of 7jwd by Molmil](/molmil-images/mine/7jwd) | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-linoleoylglycerol | Descriptor: | 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-08-25 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35000193 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7A65
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7A6E
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![BU of 7a6e by Molmil](/molmil-images/mine/7a6e) | |
7JWK
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7A69
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7A6F
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7A6C
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7JVY
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![BU of 7jvy by Molmil](/molmil-images/mine/7jvy) | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether | Descriptor: | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-08-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7JW5
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![BU of 7jw5 by Molmil](/molmil-images/mine/7jw5) | Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2020-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation Acs Catalysis, 12, 2022
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7CUM
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![BU of 7cum by Molmil](/molmil-images/mine/7cum) | Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626 | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, CHOLESTEROL, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Kim, Y, Jeong, E, Jeong, J, Kim, Y, Cho, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural Basis for Activation of the Heterodimeric GABA B Receptor. J.Mol.Biol., 432, 2020
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7CUE
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![BU of 7cue by Molmil](/molmil-images/mine/7cue) | Crystal structure of HID2 bound to human Hemoglobin | Descriptor: | Amino acid ABC transporter substrate-binding protein, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Caaveiro, J.M.M, Hoshino, M, Tsumoto, K. | Deposit date: | 2020-08-22 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes To Be Published
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7JVQ
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![BU of 7jvq by Molmil](/molmil-images/mine/7jvq) | Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7JVP
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![BU of 7jvp by Molmil](/molmil-images/mine/7jvp) | Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7JVR
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![BU of 7jvr by Molmil](/molmil-images/mine/7jvr) | Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | Descriptor: | Antibody fragment ScFv16, 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, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
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7A5N
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![BU of 7a5n by Molmil](/molmil-images/mine/7a5n) | Structure of DYRK1A in complex with compound 34 | Descriptor: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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