6DE4
| Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hajian, B, Wright, D. | Deposit date: | 2018-05-11 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDS
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ... | Authors: | Hajian, B, Wright, D, Scocchera, E. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDW
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | Descriptor: | Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ... | Authors: | Hajian, B, Scocchera, E, Wright, D. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDP
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hajian, B, Wright, D. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DE5
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5JA3
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hajian, B, Anderson, A.C. | Deposit date: | 2016-04-11 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Propargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Plos One, 11, 2016
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7T7A
| Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION | Authors: | Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J. | Deposit date: | 2021-12-14 | Release date: | 2022-05-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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7UMW
| Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | Descriptor: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7CK9
| Crystal structure of Doxorubicin loaded human ferritin heavy chain | Descriptor: | CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ... | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | Deposit date: | 2020-07-16 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | A natural drug entry channel in the ferritin nanocage. Nano Today, 35, 2020
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7CK8
| Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ... | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | Deposit date: | 2020-07-16 | Release date: | 2021-05-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A natural drug entry channel in the ferritin nanocage. Nano Today, 35, 2020
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7UMX
| Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7UM8
| Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-06 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7UMY
| Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | Descriptor: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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7Y5X
| CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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7Y5T
| CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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7Y5Z
| CryoEM structure of human PS2-containing gamma-secretase | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2022-06-18 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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2X6I
| THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-90 | Descriptor: | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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2X6H
| THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 | Descriptor: | PHOSPHOTIDYLINOSITOL 3 KINASE 59F | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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2X6K
| THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PI-103 | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, PHOSPHOTIDYLINOSITOL 3 KINASE 59F, SULFATE ION | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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2X6F
| THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH 3-METHYLADENINE | Descriptor: | 6-AMINO-3-METHYLPURINE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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2X6J
| THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-93 | Descriptor: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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5WZZ
| The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation | Descriptor: | Axin-1, E3 ubiquitin-protein ligase SIAH1, ZINC ION | Authors: | Ji, L, Jiang, B, Jiang, X, Charlat, O, Chen, A, Mickanin, C, Bauer, A, Xu, W, Yan, X.-X, Cong, F. | Deposit date: | 2017-01-19 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation Genes Dev., 31, 2017
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5XPV
| Structure of the V domain of amphioxus IgVJ-C2 | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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5XPW
| Structure of amphioxus IgVJ-C2 molecule | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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7UPI
| Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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