7B1G
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![BU of 7b1g by Molmil](/molmil-images/mine/7b1g) | TRPC4 in complex with Calmodulin | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, CALCIUM ION, Calmodulin-1, ... | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | Deposit date: | 2020-11-24 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents. Elife, 9, 2020
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7B1E
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![BU of 7b1e by Molmil](/molmil-images/mine/7b1e) | BACE1 IN COMPLEX WITH compound 3 (NB-641) | Descriptor: | Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | Authors: | Rondeau, J.M, Wirth, E. | Deposit date: | 2020-11-24 | Release date: | 2021-04-28 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360. J.Med.Chem., 64, 2021
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7KU0
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![BU of 7ku0 by Molmil](/molmil-images/mine/7ku0) | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
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![BU of 7ku2 by Molmil](/molmil-images/mine/7ku2) | Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.185 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
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![BU of 7ku3 by Molmil](/molmil-images/mine/7ku3) | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU1
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![BU of 7ku1 by Molmil](/molmil-images/mine/7ku1) | Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
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![BU of 7ktz by Molmil](/molmil-images/mine/7ktz) | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTY
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![BU of 7kty by Molmil](/molmil-images/mine/7kty) | Data clustering and dynamics of chymotrypsinogen average structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KUE
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![BU of 7kue by Molmil](/molmil-images/mine/7kue) | CryoEM structure of Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ... | Authors: | van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L. | Deposit date: | 2020-11-24 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of TFIIK for phosphorylation of CTD of RNA polymerase II. Sci Adv, 7, 2021
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7DKF
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![BU of 7dkf by Molmil](/molmil-images/mine/7dkf) | Activity optimized supercomplex state4 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E. | Deposit date: | 2020-11-24 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex. Antioxid.Redox Signal., 2022
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7B16
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![BU of 7b16 by Molmil](/molmil-images/mine/7b16) | TRPC4 in complex with inhibitor GFB-9289 | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one, CALCIUM ION, ... | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | Deposit date: | 2020-11-23 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents. Elife, 9, 2020
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7B0Y
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![BU of 7b0y by Molmil](/molmil-images/mine/7b0y) | Structure of a transcribing RNA polymerase II-U1 snRNP complex | Descriptor: | 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ... | Authors: | Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P. | Deposit date: | 2020-11-23 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of a transcribing RNA polymerase II-U1 snRNP complex. Science, 371, 2021
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7KSK
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![BU of 7ksk by Molmil](/molmil-images/mine/7ksk) | |
7KSJ
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![BU of 7ksj by Molmil](/molmil-images/mine/7ksj) | |
7KSI
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7KSL
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![BU of 7ksl by Molmil](/molmil-images/mine/7ksl) | Substrate-free human mitochondrial LONP1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | Deposit date: | 2020-11-23 | Release date: | 2020-12-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation. Nat Commun, 12, 2021
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7KSM
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![BU of 7ksm by Molmil](/molmil-images/mine/7ksm) | Human mitochondrial LONP1 with endogenous substrate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | Deposit date: | 2020-11-23 | Release date: | 2020-12-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation. Nat Commun, 12, 2021
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7B0S
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![BU of 7b0s by Molmil](/molmil-images/mine/7b0s) | TRPC4 in complex with inhibitor GFB-8438 | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one, CALCIUM ION, ... | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | Deposit date: | 2020-11-21 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents. Elife, 9, 2020
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7KSA
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![BU of 7ksa by Molmil](/molmil-images/mine/7ksa) | Crystal structure of human CYP3A4 with the caged inhibitor | Descriptor: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.S. | Deposit date: | 2020-11-21 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143, 2021
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7KS8
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![BU of 7ks8 by Molmil](/molmil-images/mine/7ks8) | Crystal structure of human CYP3A4 with the caged inhibitor | Descriptor: | (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.S. | Deposit date: | 2020-11-21 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143, 2021
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7KSE
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![BU of 7kse by Molmil](/molmil-images/mine/7kse) | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled) | Descriptor: | CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H | Authors: | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | Deposit date: | 2020-11-21 | Release date: | 2021-08-11 | Last modified: | 2021-09-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT). Viruses, 13, 2021
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7KSF
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![BU of 7ksf by Molmil](/molmil-images/mine/7ksf) | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native) | Descriptor: | CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H | Authors: | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | Deposit date: | 2020-11-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT). Viruses, 13, 2021
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7DJO
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![BU of 7djo by Molmil](/molmil-images/mine/7djo) | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7B0J
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![BU of 7b0j by Molmil](/molmil-images/mine/7b0j) | TRPC4 in LMNG detergent | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, Transient receptor potential cation channel subfamily c member 4a | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | Deposit date: | 2020-11-20 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents. Elife, 9, 2020
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7KRZ
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![BU of 7krz by Molmil](/molmil-images/mine/7krz) | Human mitochondrial LONP1 in complex with Bortezomib | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ... | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | Deposit date: | 2020-11-20 | Release date: | 2021-02-24 | Last modified: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation. Nat Commun, 12, 2021
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