5Z14
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![BU of 5z14 by Molmil](/molmil-images/mine/5z14) | Crystal structure of human TLR8 in complex with CU-CPT9a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
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4XAK
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![BU of 4xak by Molmil](/molmil-images/mine/4xak) | Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ... | Authors: | Zhou, T, Dimtrov, D.S, Ying, T. | Deposit date: | 2014-12-15 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody. Nat Commun, 6, 2015
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5FA2
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![BU of 5fa2 by Molmil](/molmil-images/mine/5fa2) | Crystal structure of 426c.TM4deltaV1-3 p120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ... | Authors: | Scharf, L, Bjorkman, P.J. | Deposit date: | 2015-12-10 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens. Elife, 5, 2016
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5FEC
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![BU of 5fec by Molmil](/molmil-images/mine/5fec) | |
4BV6
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![BU of 4bv6 by Molmil](/molmil-images/mine/4bv6) | Refined crystal structure of the human Apoptosis inducing factor | Descriptor: | APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M. | Deposit date: | 2013-06-25 | Release date: | 2014-09-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor. Biochemistry, 53, 2014
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8K5N
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![BU of 8k5n by Molmil](/molmil-images/mine/8k5n) | Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy | Descriptor: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Xiao, Y.B. | Deposit date: | 2023-07-22 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy. J.Med.Chem., 66, 2023
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4N0A
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![BU of 4n0a by Molmil](/molmil-images/mine/4n0a) | Crystal structure of Lsm2-3-Pat1C complex from Saccharomyces cerevisiae | Descriptor: | DNA topoisomerase 2-associated protein PAT1, U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3 | Authors: | Wu, D.H. | Deposit date: | 2013-10-01 | Release date: | 2013-12-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Lsm2 and Lsm3 bridge the interaction of the Lsm1-7 complex with Pat1 for decapping activation Cell Res., 24, 2014
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5UR1
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![BU of 5ur1 by Molmil](/molmil-images/mine/5ur1) | FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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1R7L
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![BU of 1r7l by Molmil](/molmil-images/mine/1r7l) | 2.0 A Crystal Structure of a Phage Protein from Bacillus cereus ATCC 14579 | Descriptor: | Phage protein | Authors: | Zhang, R, Joachimiak, G, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-10-21 | Release date: | 2004-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of phage protein BC1872 from Bacillus cereus, a singleton with new fold Proteins, 64, 2006
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3WUY
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![BU of 3wuy by Molmil](/molmil-images/mine/3wuy) | Crystal structure of Nit6803 | Descriptor: | Nitrilase | Authors: | Yuan, Y.A, Yin, B, Wang, C. | Deposit date: | 2014-05-09 | Release date: | 2014-12-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803 J.Struct.Biol., 188, 2014
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8I4S
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![BU of 8i4s by Molmil](/molmil-images/mine/8i4s) | the complex structure of SARS-CoV-2 Mpro with D8 | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | Authors: | Lu, M. | Deposit date: | 2023-01-21 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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8JBA
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![BU of 8jba by Molmil](/molmil-images/mine/8jba) | |
5WDH
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![BU of 5wdh by Molmil](/molmil-images/mine/5wdh) | Motor domain of human kinesin family member C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-07-05 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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5WDE
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![BU of 5wde by Molmil](/molmil-images/mine/5wde) | Crystal structure of the KIFC3 motor domain in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ... | Authors: | Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-07-05 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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5XNV
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![BU of 5xnv by Molmil](/molmil-images/mine/5xnv) | Crystal structure of YEATS2 YEATS bound to H3K27ac peptide | Descriptor: | ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Li, H.T, Guan, H.P, Zhao, D. | Deposit date: | 2017-05-24 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer. Nat Commun, 8, 2017
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7VNE
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![BU of 7vne by Molmil](/molmil-images/mine/7vne) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113.1 (UUU-state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
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7VND
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![BU of 7vnd by Molmil](/molmil-images/mine/7vnd) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UUD-state, state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
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7VNB
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![BU of 7vnb by Molmil](/molmil-images/mine/7vnb) | Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, n3113 | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
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7VNC
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![BU of 7vnc by Molmil](/molmil-images/mine/7vnc) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UDD-state, state 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
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5ZAZ
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![BU of 5zaz by Molmil](/molmil-images/mine/5zaz) | |
2L6S
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![BU of 2l6s by Molmil](/molmil-images/mine/2l6s) | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | Descriptor: | VIR-576 | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide. Sci Transl Med, 2, 2010
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2L6T
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![BU of 2l6t by Molmil](/molmil-images/mine/2l6t) | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | Descriptor: | VIR-576 | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide. Sci Transl Med, 2, 2010
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7WXZ
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![BU of 7wxz by Molmil](/molmil-images/mine/7wxz) | Crystal structure of the recombinant protein HR121 from the S2 protein of SARS-CoV-2 | Descriptor: | Spike protein S2' | Authors: | Zheng, Y.T, Ouyang, S, Pang, W, Lu, Y, Zhao, Y.B. | Deposit date: | 2022-02-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A variant-proof SARS-CoV-2 vaccine targeting HR1 domain in S2 subunit of spike protein. Cell Res., 32, 2022
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7CRF
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![BU of 7crf by Molmil](/molmil-images/mine/7crf) | Crystal structure of human TLR8 in complex with CU-CPD107 | Descriptor: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2020-08-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
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6AKL
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![BU of 6akl by Molmil](/molmil-images/mine/6akl) | Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain | Descriptor: | Striatin-3, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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