5X5B
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![BU of 5x5b by Molmil](/molmil-images/mine/5x5b) | Prefusion structure of SARS-CoV spike glycoprotein, conformation 2 | Descriptor: | Spike glycoprotein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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5XI4
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![BU of 5xi4 by Molmil](/molmil-images/mine/5xi4) | BRD4 bound with compound Bdi4 | Descriptor: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.486 Å) | Cite: | BRD4 bound with compound Bdi4 To Be Published
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5X59
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![BU of 5x59 by Molmil](/molmil-images/mine/5x59) | Prefusion structure of MERS-CoV spike glycoprotein, three-fold symmetry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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5X5C
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![BU of 5x5c by Molmil](/molmil-images/mine/5x5c) | Prefusion structure of MERS-CoV spike glycoprotein, conformation 1 | Descriptor: | S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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7DNO
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![BU of 7dno by Molmil](/molmil-images/mine/7dno) | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | Deposit date: | 2020-12-10 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5. Molecules, 26, 2021
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6LIM
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![BU of 6lim by Molmil](/molmil-images/mine/6lim) | BRD4-BD1 bound with compound 40 | Descriptor: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2019-12-12 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75909507 Å) | Cite: | BRD4-BD1 bound with compound 40 To Be Published
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6LIH
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![BU of 6lih by Molmil](/molmil-images/mine/6lih) | BRD4 BD1 bound with compound 10 | Descriptor: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D. | Deposit date: | 2019-12-11 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62030542 Å) | Cite: | BRD4 BD1 bound with compound 10 To Be Published
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6PZQ
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![BU of 6pzq by Molmil](/molmil-images/mine/6pzq) | |
6M3W
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![BU of 6m3w by Molmil](/molmil-images/mine/6m3w) | Post-fusion structure of SARS-CoV spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Fan, X, Cao, D, Zhang, X. | Deposit date: | 2020-03-04 | Release date: | 2020-06-03 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM analysis of the post-fusion structure of the SARS-CoV spike glycoprotein. Nat Commun, 11, 2020
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5XI3
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![BU of 5xi3 by Molmil](/molmil-images/mine/5xi3) | BRD4 bound with compound Bdi3 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.674 Å) | Cite: | BRD4 bound with compound Bdi3 To Be Published
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5X5F
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![BU of 5x5f by Molmil](/molmil-images/mine/5x5f) | Prefusion structure of MERS-CoV spike glycoprotein, conformation 2 | Descriptor: | S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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5XI2
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![BU of 5xi2 by Molmil](/molmil-images/mine/5xi2) | BRD4 bound with compound Bdi2 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | BRD4 bound with compound Bdi2 To Be Published
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5YOV
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![BU of 5yov by Molmil](/molmil-images/mine/5yov) | Crystal structure of BRD4-BD1 bound with hjp126 | Descriptor: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4 | Authors: | Xiong, B, Hu, J, Li, Y, Cao, D. | Deposit date: | 2017-10-31 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups. Eur.J.Med.Chem., 150, 2018
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6KHI
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![BU of 6khi by Molmil](/molmil-images/mine/6khi) | Supercomplex for cylic electron transport in cyanobacteria | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | Deposit date: | 2019-07-15 | Release date: | 2020-02-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase. Nat Commun, 11, 2020
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6KHJ
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![BU of 6khj by Molmil](/molmil-images/mine/6khj) | Supercomplex for electron transfer | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | Deposit date: | 2019-07-15 | Release date: | 2020-02-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase. Nat Commun, 11, 2020
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4WI8
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![BU of 4wi8 by Molmil](/molmil-images/mine/4wi8) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, ... | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI2
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![BU of 4wi2 by Molmil](/molmil-images/mine/4wi2) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI7
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![BU of 4wi7 by Molmil](/molmil-images/mine/4wi7) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI5
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![BU of 4wi5 by Molmil](/molmil-images/mine/4wi5) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI3
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![BU of 4wi3 by Molmil](/molmil-images/mine/4wi3) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI6
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![BU of 4wi6 by Molmil](/molmil-images/mine/4wi6) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI4
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![BU of 4wi4 by Molmil](/molmil-images/mine/4wi4) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI9
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![BU of 4wi9 by Molmil](/molmil-images/mine/4wi9) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ... | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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5X4R
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![BU of 5x4r by Molmil](/molmil-images/mine/5x4r) | Structure of the N-terminal domain (NTD) of MERS-CoV spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2017-02-14 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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4R3M
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![BU of 4r3m by Molmil](/molmil-images/mine/4r3m) | Crystal structure of Human Hsp90 with JR9 | Descriptor: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | Authors: | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | Deposit date: | 2014-08-16 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity. Org.Biomol.Chem., 13, 2015
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