3ONI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-29 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
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6AKW
| Crystal structure of RNA dioxygenase bound with an inhibitor | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | Authors: | Yang, C.-G, Huang, Y, Gan, J. | Deposit date: | 2018-09-04 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia. Cancer Cell, 35, 2019
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4FIN
| Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase | Descriptor: | CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ... | Authors: | Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-09 | Release date: | 2013-07-03 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The ABC-F protein EttA gates ribosome entry into the translation elongation cycle. Nat.Struct.Mol.Biol., 21, 2014
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7WTD
| Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, Pyruvate carboxylase, ... | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | Deposit date: | 2022-02-04 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA. Mol.Cell, 82, 2022
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7WTE
| Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 2 | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, Pyruvate carboxylase, ... | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | Deposit date: | 2022-02-04 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA. Mol.Cell, 82, 2022
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7WTA
| Cryo-EM structure of human pyruvate carboxylase in apo state | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Pyruvate carboxylase, mitochondrial | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | Deposit date: | 2022-02-04 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA. Mol.Cell, 82, 2022
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7WTC
| Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the ground state | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, Pyruvate carboxylase, ... | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | Deposit date: | 2022-02-04 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA. Mol.Cell, 82, 2022
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7WTB
| Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | Deposit date: | 2022-02-04 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA. Mol.Cell, 82, 2022
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1VYU
| Beta3 subunit of Voltage-gated Ca2+-channel | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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6A72
| Copper transporter protein | Descriptor: | ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum | Authors: | Chen, W.B. | Deposit date: | 2018-07-01 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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1VYV
| beta4 subunit of Ca2+ channel | Descriptor: | CALCIUM CHANNEL BETA-4SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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1VYT
| beta3 subunit complexed with aid | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT, VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL ALPHA-1C SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Tong, L, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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6A71
| Crystal Structure of Human ATP7B and TM Complex | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chen, W.B. | Deposit date: | 2018-06-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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7WN8
| Crystal structure of antibody (BC31M5) binds to CD47 | Descriptor: | BC31M5 Fab Heavy chain, BC31M5 Fab Light chain, Leukocyte surface antigen CD47, ... | Authors: | Li, Y, Wang, W, Sui, J, Zhang, S. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A pH-dependent anti-CD47 antibody that selectively targets solid tumors and improves therapeutic efficacy and safety. J Hematol Oncol, 16, 2023
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7JTP
| Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | Elongin-B, Elongin-C, GLYCEROL, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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7JTO
| Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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5WDH
| Motor domain of human kinesin family member C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-07-05 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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3MXF
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
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3OLI
| Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 | Descriptor: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes. J.Struct.Biol., 174, 2011
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3OLD
| Crystal structure of alpha-amylase in complex with acarviostatin I03 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes J.Struct.Biol., 174, 2011
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4KSA
| Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127 | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-17 | Release date: | 2013-06-19 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
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1XNE
| Solution Structure of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14 | Descriptor: | hypothetical protein PF0469 | Authors: | Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR data collection and analysis protocol for high-throughput protein structure determination. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XN6
| Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus | Descriptor: | hypothetical protein BC4709 | Authors: | Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR data collection and analysis protocol for high-throughput protein structure determination. Proc.Natl.Acad.Sci.Usa, 102, 2005
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4KSF
| Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35 | Descriptor: | CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-17 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
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4PJV
| Structure of PARP2 catalytic domain bound to inhibitor BMN 673 | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL, Poly [ADP-ribose] polymerase 2 | Authors: | Aoyagi-Scharber, M, Gardberg, A.S, Edwards, T.L. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone. Acta Crystallogr.,Sect.F, 70, 2014
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