5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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5ZOV
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![BU of 5zov by Molmil](/molmil-images/mine/5zov) | Inward-facing conformation of L-ascorbate transporter UlaA | Descriptor: | ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC | Authors: | Wang, J.W. | Deposit date: | 2018-04-16 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.333 Å) | Cite: | Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism Cell Discov, 4, 2018
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7CLV
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![BU of 7clv by Molmil](/molmil-images/mine/7clv) | Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide | Descriptor: | COX4 isoform 1, TIM23 isoform 1 | Authors: | Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F. | Deposit date: | 2020-07-22 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide. Cell Res., 31, 2021
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6IIK
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![BU of 6iik by Molmil](/molmil-images/mine/6iik) | USP14 catalytic domain with IU1 | Descriptor: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, Y.W, He, W, Wang, F. | Deposit date: | 2018-10-06 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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5V84
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![BU of 5v84 by Molmil](/molmil-images/mine/5v84) | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | Descriptor: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | Authors: | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | Deposit date: | 2017-03-21 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett, 8, 2017
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5ZUD
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![BU of 5zud by Molmil](/molmil-images/mine/5zud) | Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with D6 | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | Authors: | Wang, X, Zhu, L, Wang, N. | Deposit date: | 2018-05-07 | Release date: | 2019-12-25 | Last modified: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71. Mbio, 9, 2018
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8W2O
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![BU of 8w2o by Molmil](/molmil-images/mine/8w2o) | Yeast U1 snRNP with humanized U1C Zinc-Finger domain | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | Authors: | Shi, S.S, Kuang, Z.L, Zhao, R. | Deposit date: | 2024-02-20 | Release date: | 2024-05-15 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Selected humanization of yeast U1 snRNP leads to global suppression of pre-mRNA splicing and mitochondrial dysfunction in the budding yeast. Rna, 30, 2024
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6IIM
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![BU of 6iim by Molmil](/molmil-images/mine/6iim) | USP14 catalytic domain with IU1-206 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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2Q06
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![BU of 2q06 by Molmil](/molmil-images/mine/2q06) | Crystal structure of Influenza A Virus H5N1 Nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Ng, A.K.L, Zhang, H, Tan, K, Wang, J, Shaw, P.C. | Deposit date: | 2007-05-21 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the influenza virus A H5N1 nucleoprotein: implications for RNA binding, oligomerization, and vaccine design. Faseb J., 22, 2008
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8X94
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![BU of 8x94 by Molmil](/molmil-images/mine/8x94) | Structure of human TRPV1 in complex with antagonist --protein purified without CHS | Descriptor: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,Green fluorescent protein | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-11-29 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Structural basis of TRPV1 inhibition by SAF312 and cholesterol. Nat Commun, 15, 2024
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5ZUF
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![BU of 5zuf by Molmil](/molmil-images/mine/5zuf) | Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9 | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | Authors: | Wang, X, Zhu, L, Wang, N. | Deposit date: | 2018-05-07 | Release date: | 2019-12-25 | Last modified: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71. Mbio, 9, 2018
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6IIN
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![BU of 6iin by Molmil](/molmil-images/mine/6iin) | USP14 catalytic domain with IU1-248 | Descriptor: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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5FBO
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![BU of 5fbo by Molmil](/molmil-images/mine/5fbo) | BTK-inhibitor co-structure | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2015-12-14 | Release date: | 2016-03-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. ACS Med Chem Lett, 7, 2016
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5WTJ
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![BU of 5wtj by Molmil](/molmil-images/mine/5wtj) | Crystal structure of an endonuclease | Descriptor: | CRISPR-associated endoribonuclease C2c2 | Authors: | Liu, L, Wang, Y. | Deposit date: | 2016-12-13 | Release date: | 2017-02-08 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities Cell, 168, 2017
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8P6H
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![BU of 8p6h by Molmil](/molmil-images/mine/8p6h) | Bovine naive ultralong antibody AbBLV5B8* collected at 100K | Descriptor: | Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | Deposit date: | 2023-05-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins. Acta Crystallographica Section F, 2023
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5WTK
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![BU of 5wtk by Molmil](/molmil-images/mine/5wtk) | Crystal structure of RNP complex | Descriptor: | CRISPR-associated endoribonuclease C2c2, RNA (58-MER) | Authors: | Liu, L, Wang, Y. | Deposit date: | 2016-12-13 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities Cell, 168, 2017
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6LGW
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![BU of 6lgw by Molmil](/molmil-images/mine/6lgw) | Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH | Descriptor: | Glycoprotein, scFv 523-11 | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9037 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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6LGX
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![BU of 6lgx by Molmil](/molmil-images/mine/6lgx) | Structure of Rabies virus glycoprotein at basic pH | Descriptor: | Glycoprotein,Glycoprotein,Glycoprotein | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.097 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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7DRI
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![BU of 7dri by Molmil](/molmil-images/mine/7dri) | Structure of SspE_CTD_41658 | Descriptor: | DUF1524 domain | Authors: | Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G. | Deposit date: | 2020-12-28 | Release date: | 2022-06-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE. Nat Commun, 13, 2022
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5TH7
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![BU of 5th7 by Molmil](/molmil-images/mine/5th7) | Complex of SETD8 with MS453 | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-29 | Release date: | 2016-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J. Med. Chem., 59, 2016
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8HVU
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![BU of 8hvu by Molmil](/molmil-images/mine/8hvu) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
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8HVV
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![BU of 8hvv by Molmil](/molmil-images/mine/8hvv) | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zeng, X.Y, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
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8HVX
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![BU of 8hvx by Molmil](/molmil-images/mine/8hvx) | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
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8HVZ
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![BU of 8hvz by Molmil](/molmil-images/mine/8hvz) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
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5TZR
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![BU of 5tzr by Molmil](/molmil-images/mine/5tzr) | GPR40 in complex with partial agonist MK-8666 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | Deposit date: | 2016-11-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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