7XWU
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![BU of 7xwu by Molmil](/molmil-images/mine/7xwu) | Ketoreductase CpKR mutant - M1 | Descriptor: | DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, C, Zheng, Y.C, Pan, J, Xu, J.H. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor. To Be Published
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7XWT
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7XWS
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![BU of 7xws by Molmil](/molmil-images/mine/7xws) | Crystal structure of Wild Type Cypovirus Polyhedra produced by cell-free protein synthesis with small volume | Descriptor: | ACETYL GROUP, CHLORIDE ION, Polyhedrin | Authors: | Abe, S, Tanaka, J, Kojima, M, Hirata, K, Yamashita, K, Ueno, T. | Deposit date: | 2022-05-27 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cell-free protein crystallization for nanocrystal structure determination. Sci Rep, 12, 2022
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7XWR
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7XWQ
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7XWP
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7XWO
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![BU of 7xwo by Molmil](/molmil-images/mine/7xwo) | Neurokinin A bound to active human neurokinin 2 receptor in complex with G324 | Descriptor: | G324, 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: | Sun, W.J, Yuan, Q.N, Zhang, H.H, Yang, F, Ling, S.L, Lv, P, Eric, X, Tian, C.L, Yin, W.C, Shi, P. | Deposit date: | 2022-05-26 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into the activation of neurokinin 2 receptor by neurokinin A. Cell Discov, 8, 2022
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7XWC
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7XWA
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![BU of 7xwa by Molmil](/molmil-images/mine/7xwa) | Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Suzuki, T, Kimura, K, Hashiguchi, T. | Deposit date: | 2022-05-26 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5. Cell, 185, 2022
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7XW8
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![BU of 7xw8 by Molmil](/molmil-images/mine/7xw8) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | Authors: | Oki, H. | Deposit date: | 2022-05-26 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur.J.Med.Chem., 239, 2022
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7XVZ
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7XVY
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![BU of 7xvy by Molmil](/molmil-images/mine/7xvy) | Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN | Descriptor: | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Furuya, N, Handa, C. | Deposit date: | 2022-05-25 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
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7XVX
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7XVW
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![BU of 7xvw by Molmil](/molmil-images/mine/7xvw) | Structure of neuraminidase from influenza B-like viruses derived from spiny eel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | Authors: | Chai, Y, Gao, F. | Deposit date: | 2022-05-25 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XVV
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7XVU
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![BU of 7xvu by Molmil](/molmil-images/mine/7xvu) | Structure of neuraminidase from influenza B-like viruses derived from spiny eel | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Chai, Y, Gao, F. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XVR
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7XVO
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7XVJ
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![BU of 7xvj by Molmil](/molmil-images/mine/7xvj) | Crystal structure of CdpNPT in complex with harmol | Descriptor: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | Authors: | Nakashima, Y, Morita, H. | Deposit date: | 2022-05-24 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase. J Nat Med, 76, 2022
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7XVI
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7XVF
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![BU of 7xvf by Molmil](/molmil-images/mine/7xvf) | Nav1.7 mutant class2 | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N. | Deposit date: | 2022-05-22 | Release date: | 2022-08-10 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XVE
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![BU of 7xve by Molmil](/molmil-images/mine/7xve) | Human Nav1.7 mutant class-I | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N. | Deposit date: | 2022-05-21 | Release date: | 2022-08-10 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XV7
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7XV3
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![BU of 7xv3 by Molmil](/molmil-images/mine/7xv3) | Cryo-EM structure of LPS-bound GPR174 in complex with Gs protein | Descriptor: | (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, Engineered G protein subunit S (mini-Gs), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Liang, J. | Deposit date: | 2022-05-20 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis of lysophosphatidylserine receptor GPR174 ligand recognition and activation. Nat Commun, 14, 2023
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7XUQ
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![BU of 7xuq by Molmil](/molmil-images/mine/7xuq) | Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole | Descriptor: | Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | Deposit date: | 2022-05-19 | Release date: | 2022-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes. Nature, 611, 2022
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