1B2G
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3TA3
| Structure of the mouse CD1d-Glc-DAG-s2-iNKT TCR complex | Descriptor: | (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-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: | Girardi, E, Yu, E.D, Zajonc, D.M. | Deposit date: | 2011-08-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unique Interplay between Sugar and Lipid in Determining the Antigenic Potency of Bacterial Antigens for NKT Cells. Plos Biol., 9, 2011
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1LPN
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1LPM
| A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES | Descriptor: | (1R)-MENTHYL HEXYL PHOSPHONATE GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Grochulski, P.G, Cygler, M.C. | Deposit date: | 1995-01-06 | Release date: | 1995-04-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A Structural Basis for the Chiral Preferences of Lipases J.Am.Chem.Soc., 116, 1994
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1LPS
| A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES | Descriptor: | (1S)-MENTHYL HEXYL PHOSPHONATE GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Grochulski, P.G, Cygler, M.C. | Deposit date: | 1995-01-05 | Release date: | 1995-02-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A Structural Basis for the Chiral Preferences of Lipases J.Am.Chem.Soc., 116, 1994
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8K8S
| F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP | Descriptor: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | Deposit date: | 2023-07-31 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus. Structure, 32, 2024
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8K8U
| F8-A22-E4 complex of MPXV in complex with DNA and dCTP | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | Deposit date: | 2023-07-31 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus. Structure, 32, 2024
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6O6F
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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1KVW
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6OQD
| Crystal structure of Mcl1 with inhibitor 8 | Descriptor: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6AN4
| Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F) | Descriptor: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2017-08-12 | Release date: | 2018-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Bisubstrate analog inhibitors of HPPK: Transition state mimetics to be published
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4L8I
| Crystal structure of RSV epitope scaffold FFL_005 | Descriptor: | RSV epitope scaffold FFL_005 | Authors: | Jardine, J, Correnti, C, Holmes, M.A, Strong, R.K, Schief, W.R. | Deposit date: | 2013-06-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Proof of principle for epitope-focused vaccine design. Nature, 507, 2014
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6OQN
| Crystal structure of Mcl1 with inhibitor 7 | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6L4S
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2BPY
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPX
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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4JLR
| Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab | Descriptor: | Motavizumab Fab heavy chain, Motavizumab Fab light chain, PENTAETHYLENE GLYCOL, ... | Authors: | Rupert, P.B, Correia, B, Schief, W, Strong, R.K. | Deposit date: | 2013-03-12 | Release date: | 2014-02-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Proof of principle for epitope-focused vaccine design. Nature, 507, 2014
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2BPZ
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPW
| HIV-1 protease-inhibitor complex | Descriptor: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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4NK5
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6OQB
| Co-crystal structure of Mcl1 with inhibitor 10 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6O6G
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OVC
| hMcl1 inhibitor complex | Descriptor: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Poppe, L. | Deposit date: | 2019-05-07 | Release date: | 2019-05-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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7XX1
| Crystal structure of SARS-CoV-2 N-NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XWZ
| Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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