6LRB
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4QR3
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![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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4QR4
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![BU of 4qr4 by Molmil](/molmil-images/mine/4qr4) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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3KVK
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![BU of 3kvk by Molmil](/molmil-images/mine/3kvk) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ... | Authors: | McLean, L, Zhang, Y. | Deposit date: | 2009-11-30 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg.Med.Chem.Lett., 20, 2010
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3KVJ
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2KUB
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![BU of 2kub by Molmil](/molmil-images/mine/2kub) | Solution structure of the alpha subdomain of the major non-repeat unit of Fap1 fimbriae of Streptococcus parasanguis | Descriptor: | Fimbriae-associated protein Fap1 | Authors: | Ramboarina, S, Garnett, J.A, Bodey, A, Simpson, P, Bardiaux, B, Nilges, M, Matthews, S. | Deposit date: | 2010-02-17 | Release date: | 2010-07-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural insights into serine-rich fimbriae from gram-positive bacteria. J.Biol.Chem., 2010
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3ILQ
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![BU of 3ilq by Molmil](/molmil-images/mine/3ilq) | Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M. | Deposit date: | 2009-08-07 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells. Proc.Natl.Acad.Sci.USA, 107, 2010
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4L02
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![BU of 4l02 by Molmil](/molmil-images/mine/4l02) | Crystal Structure of SphK1 with inhibitor | Descriptor: | (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1 | Authors: | Min, X, Walker, N, Wang, Z. | Deposit date: | 2013-05-30 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3ILP
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![BU of 3ilp by Molmil](/molmil-images/mine/3ilp) | Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M. | Deposit date: | 2009-08-07 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells. Proc.Natl.Acad.Sci.USA, 107, 2010
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6AKK
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![BU of 6akk by Molmil](/molmil-images/mine/6akk) | Crystal structure of the second Coiled-coil domain of SIKE1 | Descriptor: | GLYCEROL, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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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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6KXW
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![BU of 6kxw by Molmil](/molmil-images/mine/6kxw) | Crystal structure of human aquaporin AQP7 in bound to glycerol | Descriptor: | Aquaporin-7, GLYCEROL | Authors: | Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y. | Deposit date: | 2019-09-13 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The structural basis for glycerol permeation by human AQP7 Sci Bull (Beijing), 66, 2020
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6IVU
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6IVS
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8FIS
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![BU of 8fis by Molmil](/molmil-images/mine/8fis) | Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-16 | Release date: | 2023-02-01 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency. Mabs, 15, 2023
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6L8Q
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![BU of 6l8q by Molmil](/molmil-images/mine/6l8q) | Complex structure of bat CD26 and MERS-RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Yuan, Y. | Deposit date: | 2019-11-07 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species. J.Virol., 94, 2020
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3JBZ
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7LLF
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![BU of 7llf by Molmil](/molmil-images/mine/7llf) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-03 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LOS
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![BU of 7los by Molmil](/molmil-images/mine/7los) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 | Descriptor: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-10 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LLZ
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![BU of 7llz by Molmil](/molmil-images/mine/7llz) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69 | Descriptor: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-02-04 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBR
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![BU of 7lbr by Molmil](/molmil-images/mine/7lbr) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89 | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBS
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![BU of 7lbs by Molmil](/molmil-images/mine/7lbs) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 | Descriptor: | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ... | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | Deposit date: | 2021-01-08 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7EPX
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![BU of 7epx by Molmil](/molmil-images/mine/7epx) | S protein of SARS-CoV-2 in complex with GW01 | 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: | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | Deposit date: | 2021-04-28 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses. Cell Discov, 8, 2022
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7F5G
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![BU of 7f5g by Molmil](/molmil-images/mine/7f5g) | The crystal structure of RBD-Nanobody complex, DL4 (SA4) | Descriptor: | ACETATE ION, GLYCEROL, Nanobody DL4, ... | Authors: | Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | Deposit date: | 2021-06-22 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2. Int.J.Biol.Macromol., 209, 2022
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7F5H
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![BU of 7f5h by Molmil](/molmil-images/mine/7f5h) | The crystal structure of RBD-Nanobody complex, DL28 (SC4) | Descriptor: | GLYCEROL, Nanobody DL28, PHOSPHATE ION, ... | Authors: | Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants. Front Microbiol, 13, 2022
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