5LMM
 
 | | Structure of E coli Hydrogenase Hyd-1 mutant E28Q | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase.
To Be Published
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6J4D
 | | Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under pH 4.7, without Zn | | Descriptor: | CITRATE ANION, Cupin superfamily protein, GLYCEROL | | Authors: | Hou, Y, Liu, B, Hu, K, Zhang, R. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Basis for the Isomerization Mechanism of MarH
To Be Published
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4QK1
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5LOZ
 | | STRUCTURE OF YEAST ENT1 ENTH DOMAIN | | Descriptor: | Epsin-1 | | Authors: | Tanner, N, Prag, G. | | Deposit date: | 2016-08-11 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A bacterial genetic selection system for ubiquitylation cascade discovery.
Nat.Methods, 13, 2016
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5LQ5
 | | 1.46 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with phosphite | | Descriptor: | PHOSPHITE ION, Putative phosphonate binding protein for ABC transporter | | Authors: | Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A. | | Deposit date: | 2016-08-16 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
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8SYO
 | | Human Retriever VPS35L/VPS29/VPS26C Complex (Composite Map) | | Descriptor: | VPS35 endosomal protein-sorting factor-like, Vacuolar protein sorting-associated protein 26C, Vacuolar protein sorting-associated protein 29 | | Authors: | Chen, Z, Chen, B, Burstein, E, Han, Y. | | Deposit date: | 2023-05-25 | | Release date: | 2023-11-01 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural organization of the retriever-CCC endosomal recycling complex.
Nat.Struct.Mol.Biol., 31, 2024
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6J98
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7THH
 | | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-11 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
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6HUB
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with 16 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-05 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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4RFC
 | | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | Descriptor: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | | Deposit date: | 2014-09-25 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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6HWA
 | | Yeast 20S proteasome in complex with 43 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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8TFN
 | | Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR | | Descriptor: | Anti-TCRVb6-5 Fab heavy chain, Anti-TCRVb6-5 Fab light chain, TRAV12-3, ... | | Authors: | Katragadda, M, Servatalab, R, Wirth, J. | | Deposit date: | 2023-07-11 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Innate TCR beta-chain engagement drives human T cells toward distinct memory-like effector phenotypes with immunotherapeutic potentials.
Sci Adv, 9, 2023
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1DJI
 | | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH CALCIUM | | Descriptor: | ACETATE ION, CALCIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ... | | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | | Deposit date: | 1996-09-25 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
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6HVU
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6HWE
 | | Yeast 20S proteasome beta2-G45A mutant in complex with carfilzomib | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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5LF7
 | | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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6HYE
 | | PDX1.2/PDX1.3 complex (PDX1.3:K97A) | | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | | Deposit date: | 2018-10-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
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6F87
 | | Crystal structure of P. abyssi Sua5 complexed with L-threonine and PPi | | Descriptor: | PYROPHOSPHATE 2-, THREONINE, Threonylcarbamoyl-AMP synthase | | Authors: | Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T. | | Deposit date: | 2017-12-12 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
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5LWG
 | | Israeli acute paralysis virus heated to 63 degree - full particle | | Descriptor: | VP1, VP2, VP3, ... | | Authors: | Mullapudi, E, Fuzik, T, Pridal, A, Plevka, P. | | Deposit date: | 2016-09-16 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-electron Microscopy Study of the Genome Release of the Dicistrovirus Israeli Acute Bee Paralysis Virus.
J. Virol., 91, 2017
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6F76
 | | Antibody derived (Abd-8) small molecule binding to KRAS. | | Descriptor: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018
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8T93
 | | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-L-(1,2,3,4)-IP4 | | Descriptor: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ... | | Authors: | Zong, G, Wang, H, Shears, S.B. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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8T97
 | | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-IP6 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Kinase, ... | | Authors: | Zong, G, Wang, H, Shears, S.B. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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5LZH
 | | Cholera toxin classical B-pentamer in complex with inhibitor PC262 | | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Heggelund, J.E, Martinsen, T, Krengel, U. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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8T8V
 | | Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinase, MAGNESIUM ION, ... | | Authors: | Zong, G, Wang, H, Shears, S.B. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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8T8W
 | | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Kinase, ... | | Authors: | Zong, G, Wang, H, Shears, S.B. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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