6PBN
 
 | | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ... | | Authors: | McFarlane, J.S, Lamb, A.L. | | Deposit date: | 2019-06-14 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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6PG2
 | | Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) | | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-23 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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6PHH
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5NTJ
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7WID
 | | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-01-03 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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6PEQ
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5NUV
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5NV3
 | | Structure of Rubisco from Rhodobacter sphaeroides in complex with CABP | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | | Authors: | Bracher, A, Milicic, G, Ciniawsky, S, Wendler, P, Hayer-Hartl, M, Hartl, F.U. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-26 | | Last modified: | 2017-09-20 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Mechanism of Enzyme Repair by the AAA(+) Chaperone Rubisco Activase.
Mol. Cell, 67, 2017
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6PFI
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | | Descriptor: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PKM
 | | MicroED structure of proteinase K from an uncoated, single lamella at 2.17A resolution (#8) | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | | Deposit date: | 2019-06-29 | | Release date: | 2019-09-04 | | Last modified: | 2019-12-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.17 Å) | | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED.
Structure, 27, 2019
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5OC2
 | | Crystal structure of Asp295Cys/Lys303Cys Amadoriase I mutant from Aspergillus Fumigatus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase | | Authors: | Rigoldi, F, Donini, S, Gautieri, A, Parisini, E. | | Deposit date: | 2017-06-29 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Thermal stabilization of the deglycating enzyme Amadoriase I by rational design.
Sci Rep, 8, 2018
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5OCH
 | | The crystal structure of human ABCB8 in an outward-facing state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ... | | Authors: | Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The crystal structure of human ABCB8 in an outward-facing state
To Be Published
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6PA7
 | | The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. | | Descriptor: | CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... | | Authors: | Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
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6PBI
 | | Crystal Structure of EcDsbA in a complex with purified morpholine 8 | | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-13 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
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5O14
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6PE4
 | | Yeast Vo motor in complex with 1 VopQ molecule | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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6PF4
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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5O2Y
 | | NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS | | Descriptor: | CALCIUM ION, General secretion pathway protein G | | Authors: | Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | | Deposit date: | 2017-05-23 | | Release date: | 2017-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
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6PFE
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.812 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6POS
 | | ClpX-ClpP complex bound to substrate and ATP-gamma-S, class 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Fei, X, Jenni, S, Harrison, S.C, Sauer, R.T. | | Deposit date: | 2019-07-05 | | Release date: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (4.12 Å) | | Cite: | Structures of the ATP-fueled ClpXP proteolytic machine bound to protein substrate.
Elife, 9, 2020
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6PPH
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-binding structure | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-06 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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5O49
 | | Human FGF in complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | | Authors: | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | | Deposit date: | 2017-05-26 | | Release date: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
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6PHK
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7VZA
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6PHP
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