1J4E
| FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE COVALENTLY BOUND TO THE SUBSTRATE DIHYDROXYACETONE PHOSPHATE | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, FRUCTOSE-BISPHOSPHATE ALDOLASE A | Authors: | Choi, K.H, Shi, J, Hopkins, C.E, Tolan, D.R, Allen, K.N. | Deposit date: | 2001-09-19 | Release date: | 2002-02-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Snapshots of catalysis: the structure of fructose-1,6-(bis)phosphate aldolase covalently bound to the substrate dihydroxyacetone phosphate. Biochemistry, 40, 2001
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8C6G
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8C68
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8C6E
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8C9W
| Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | Authors: | Strater, N, Claff, T, Schlegel, J.G, Voss, J.H, Vaassen, V, Muller, C.E. | Deposit date: | 2023-01-23 | Release date: | 2023-07-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem, 6, 2023
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8CXC
| Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | Descriptor: | 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ... | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | Deposit date: | 2022-05-20 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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8CYH
| Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ... | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | Deposit date: | 2022-05-23 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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8CZ8
| Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | Descriptor: | Mesothelin, cleaved form, SULFATE ION, ... | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | Deposit date: | 2022-05-24 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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6M9K
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8EC3
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6MLX
| Crystal structure of T. pallidum Leucine Rich Repeat protein (TpLRR) | Descriptor: | Leucine-rich repeat protein TpLRR | Authors: | Ramaswamy, R, Loveless, B.C, Houston, S, Cameron, C.E, Boulanger, M.J. | Deposit date: | 2018-09-28 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of Treponema pallidum Tp0225 reveals an unexpected leucine-rich repeat architecture. Acta Crystallogr.,Sect.F, 75, 2019
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6MV8
| LDHA structure in complex with inhibitor 14 | Descriptor: | (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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6N57
| Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation I | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-21 | Release date: | 2020-02-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation. Elife, 8, 2019
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8C8J
| Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Walpole, T.B, Baldwin, E. | Deposit date: | 2023-01-20 | Release date: | 2023-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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6N58
| Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation II | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-21 | Release date: | 2020-02-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation. Elife, 8, 2019
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6MVA
| LDHA structure in complex with inhibitor 14 | Descriptor: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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6MZJ
| Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | Deposit date: | 2018-11-05 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
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6N14
| Phosphoserine BlaC, Class A serine beta-lactamase from Mycobacterium tuberculosis | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Moural, T.W, White, D.S, Choy, C.J, Kang, C, Berkman, C.E. | Deposit date: | 2018-11-08 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52169466 Å) | Cite: | Crystal Structure of Phosphoserine BlaC fromMycobacterium tuberculosisInactivated by Bis(Benzoyl) Phosphate. Int J Mol Sci, 20, 2019
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8F2P
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6MYY
| Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | Deposit date: | 2018-11-02 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
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6NJP
| Structure of the assembled ATPase EscN in complex with its central stalk EscO from the enteropathogenic E. coli (EPEC) type III secretion system | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, EscO, ... | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry. Nat Commun, 10, 2019
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6NJO
| Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III secretion system | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry. Nat Commun, 10, 2019
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1SFJ
| 2.4A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, with 3-dehydroquinate bound | Descriptor: | 3-DEHYDROSHIKIMATE, 3-dehydroquinate dehydratase | Authors: | Nichols, C.E, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-02-19 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Staphylococcus aureus type I dehydroquinase from enzyme turnover experiments Proteins, 56, 2004
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1S1X
| Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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1BWF
| ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION | Descriptor: | GLYCEROL, GLYCEROL KINASE, MAGNESIUM ION, ... | Authors: | Bystrom, C.E, Pettigrew, D.W, Branchaud, B.P, Remington, S.J. | Deposit date: | 1998-09-23 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion. Biochemistry, 38, 1999
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