8XG2
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![BU of 8xg2 by Molmil](/molmil-images/mine/8xg2) | The structure of HLA-A/Pep14 | Descriptor: | Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1 | Authors: | Zhang, J.N, Yue, C, Liu, J. | Deposit date: | 2023-12-14 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals. Immunohorizons, 8, 2024
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4Y87
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![BU of 4y87 by Molmil](/molmil-images/mine/4y87) | Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
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4Y8C
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![BU of 4y8c by Molmil](/molmil-images/mine/4y8c) | Crystal structure of phosphodiesterase 9 in complex with (S)-C33 | Descriptor: | 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
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7BTF
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![BU of 7btf by Molmil](/molmil-images/mine/7btf) | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | Deposit date: | 2020-04-01 | Release date: | 2020-04-08 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
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4Y86
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![BU of 4y86 by Molmil](/molmil-images/mine/4y86) | Crystal structure of PDE9 in complex with racemic inhibitor C33 | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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7NXA
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![BU of 7nxa by Molmil](/molmil-images/mine/7nxa) | Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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7NXB
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![BU of 7nxb by Molmil](/molmil-images/mine/7nxb) | Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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7NX6
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![BU of 7nx6 by Molmil](/molmil-images/mine/7nx6) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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7NXC
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![BU of 7nxc by Molmil](/molmil-images/mine/7nxc) | |
7NX7
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![BU of 7nx7 by Molmil](/molmil-images/mine/7nx7) | Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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7NX9
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![BU of 7nx9 by Molmil](/molmil-images/mine/7nx9) | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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7NX8
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![BU of 7nx8 by Molmil](/molmil-images/mine/7nx8) | Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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8E7P
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![BU of 8e7p by Molmil](/molmil-images/mine/8e7p) | Staphylococcus aureus ClpP in complex with compound 3421 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2022-08-24 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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8E71
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![BU of 8e71 by Molmil](/molmil-images/mine/8e71) | Staphylococcus aureus ClpP in complex with compound 3471 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2022-08-23 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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8EF8
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![BU of 8ef8 by Molmil](/molmil-images/mine/8ef8) | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2022-09-08 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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5I4V
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![BU of 5i4v by Molmil](/molmil-images/mine/5i4v) | Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists | Descriptor: | Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-02-12 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist. J.Med.Chem., 59, 2016
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7BQY
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![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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7BX8
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![BU of 7bx8 by Molmil](/molmil-images/mine/7bx8) | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state" | Descriptor: | Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-17 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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7BWR
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![BU of 7bwr by Molmil](/molmil-images/mine/7bwr) | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state" | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ... | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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8JTC
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![BU of 8jtc by Molmil](/molmil-images/mine/8jtc) | Human VMAT2 complex with reserpine | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
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2RU9
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![BU of 2ru9 by Molmil](/molmil-images/mine/2ru9) | |
5IQL
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![BU of 5iql by Molmil](/molmil-images/mine/5iql) | |
5E00
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![BU of 5e00 by Molmil](/molmil-images/mine/5e00) | Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, GLY-VAL-TRP-ILE-ARG-THR-PRO-PRO-ALA, HLA class I histocompatibility antigen, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2015-09-26 | Release date: | 2017-01-18 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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7XYV
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![BU of 7xyv by Molmil](/molmil-images/mine/7xyv) | |