1IJR
| Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | Descriptor: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | Authors: | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | Deposit date: | 2001-04-27 | Release date: | 2002-05-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain. Bioorg.Med.Chem.Lett., 11, 2001
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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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8IP3
| Cryo-EM structure of hMRS2-Mg | 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 (2.6 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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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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7DD7
| Structure of Calcium-Sensing Receptor in complex with Evocalcet | Descriptor: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD5
| Structure of Calcium-Sensing Receptor in complex with NPS-2143 | 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-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD6
| Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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8DY6
| Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | 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: | Stalls, V, Acharya, P. | Deposit date: | 2022-08-03 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8DTO
| Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | 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: | Stalls, V, Acharya, P. | Deposit date: | 2022-07-26 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8G8A
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8G8C
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8G8D
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6E6J
| BRD2_Bromodomain2 complex with inhibitor 744 | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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4I9H
| Crystal structure of rabbit LDHA in complex with AP28669 | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I8X
| Crystal structure of rabbit LDHA in complex with AP27460 | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9N
| Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9U
| Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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7X9E
| Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | Descriptor: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | Authors: | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | Deposit date: | 2022-03-15 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2. Nat Microbiol, 7, 2022
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5JHL
| Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-04-21 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody. Cell Host Microbe, 19, 2016
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5JHM
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7LAB
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7LAA
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7KNW
| Crystal structure of SND1 in complex with C-26-A2 | Descriptor: | 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1 | Authors: | Kang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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7KNX
| Crystal structure of SND1 in complex with C-26-A6 | Descriptor: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ... | Authors: | Kang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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