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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7KN7
| Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-11-04 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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7KN6
| Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-11-04 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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5FNV
| a new complex structure of tubulin with an alpha-beta unsaturated lactone | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Naismith, J, Zhu, X. | Deposit date: | 2015-11-16 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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5XGL
| Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin LvIA | Descriptor: | Alpha-conotoxin LvIA, Soluble acetylcholine receptor | Authors: | Wang, X.Q, Xu, M.Y, Luo, S.L, Zhu, X.P. | Deposit date: | 2017-04-14 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.439 Å) | Cite: | The crystal structure of Ac-AChBP in complex with alpha-conotoxin LvIA reveals the mechanism of its selectivity towards different nAChR subtypes Protein Cell, 8, 2017
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7KN5
| Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-11-04 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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5EQY
| Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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5EQE
| Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | Descriptor: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-12 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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5EQP
| Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37) | Descriptor: | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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7JN5
| Crystal structure of SARS-CoV receptor binding domain in complex with human antibody CR3022 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, ... | Authors: | Wu, N.C, Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2020-08-03 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | A natural mutation between SARS-CoV-2 and SARS-CoV determines neutralization by a cross-reactive antibody. Plos Pathog., 16, 2020
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7JMO
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-04 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-04 heavy chain, COVA2-04 light chain, ... | Authors: | Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A. | Deposit date: | 2020-08-02 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain. Cell Rep, 33, 2020
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7JMP
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-39 heavy chain, COVA2-39 light chain, ... | Authors: | Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A. | Deposit date: | 2020-08-02 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain. Cell Rep, 33, 2020
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8SEN
| Cryo-EM Structure of RyR1 | Descriptor: | Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SES
| Cryo-EM Structure of RyR1 + Adenine | Descriptor: | ADENINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEQ
| Cryo-EM Structure of RyR1 + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEP
| Cryo-EM Structure of RyR1 + ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SET
| Cryo-EM Structure of RyR1 + cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEO
| Cryo-EM Structure of RyR1 + ATP-gamma-S | Descriptor: | Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SER
| Cryo-EM Structure of RyR1 + Adenosine | Descriptor: | ADENOSINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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4QC2
| Crystal structure of lipopolysaccharide transport protein LptB in complex with ATP and Magnesium ions | Descriptor: | ABC transporter related protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Wang, Z, Xiang, Q, Zhu, X, Dong, H, He, C, Wang, H, Zhang, Y, Wang, W, Dong, C. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport. Biochem.Biophys.Res.Commun., 452, 2014
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8SEW
| Cryo-EM Structure of RyR1 + ADP (Local Refinement of TMD) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SF0
| Cryo-EM Structure of RyR1 + cAMP (Local Refinement of TMD) | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEZ
| Cryo-EM Structure of RyR1 + Adenine (Local Refinement of TMD) | Descriptor: | ADENINE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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