7DTU
| Human Calcium-Sensing Receptor bound with L-Trp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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6UKB
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00020 To Be Published
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8EUA
| Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | Deposit date: | 2022-10-18 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
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7DTT
| Human Calcium-Sensing Receptor bound with calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTV
| Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7BP3
| Cryo-EM structure of the human MCT2 | Descriptor: | Monocarboxylate transporter 2 | Authors: | Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S. | Deposit date: | 2020-03-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cooperative transport mechanism of human monocarboxylate transporter 2. Nat Commun, 11, 2020
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7WKS
| Apo state of AtPIN3 | Descriptor: | Auxin efflux carrier component 3 | Authors: | Su, N. | Deposit date: | 2022-01-11 | Release date: | 2022-08-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures and mechanisms of the Arabidopsis auxin transporter PIN3. Nature, 609, 2022
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7WKW
| NPA bound state of AtPIN3 | Descriptor: | 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 3 | Authors: | Su, N. | Deposit date: | 2022-01-11 | Release date: | 2022-08-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structures and mechanisms of the Arabidopsis auxin transporter PIN3. Nature, 609, 2022
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5VIL
| Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | Descriptor: | 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
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6NKN
| Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-07 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7QNY
| The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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7OXL
| Crystal structure of human Spermine Oxidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S. | Deposit date: | 2021-06-22 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7OY0
| Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | Descriptor: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | Authors: | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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6ULJ
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-08 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045 To Be Published
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6UK6
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6UJM
| Crystal structure of human GAC in complex with inhibitor UPGL00013 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-03 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00013 To Be Published
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6ULA
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00030 To Be Published
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6UL9
| Crystal structure of human GAC in complex with inhibitor UPGL00023 | Descriptor: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q.Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
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6NMF
| SFX structure of reduced cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-10 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NMP
| SFX structure of oxidized cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-11 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5VIO
| Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
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3G3E
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8IP4
| Cryo-EM structure of hMRS-highEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP5
| Cryo-EM structure of hMRS2-lowEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP6
| Cryo-EM structure of hMRS2-rest | Descriptor: | CHLORIDE ION, Magnesium transporter MRS2 homolog, mitochondrial | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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