9FBV
 
 | |
4P4F
 | |
9FT0
 | | Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | Deposit date: | 2024-06-23 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
|
|
9BFH
 | | Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor | | Descriptor: | (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-17 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
|
|
9EOU
 | |
9C0Y
 | | Clathrin terminal domain complexed with Pitstop 2c | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
|
|
9BFT
 | | Cryo-EM co-structure of AcrB with CU244 | | Descriptor: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
|
|
4P2E
 | | Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C, ... | | Authors: | Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S. | | Deposit date: | 2014-03-03 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
9INK
 | | Crystal structure of beta-carotene-binding protein (BBP) from Schistocerca gregaria complexed with beta-carotene | | Descriptor: | BETA-CAROTENE, Yellow protein of the takeout family | | Authors: | Boyko, K.M, Varfolomeeva, L.A, Egorkin, N.A, Popov, V.O, Sluchanko, N.N. | | Deposit date: | 2024-07-08 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the locust beta-carotene-binding protein (BBP) complexed with beta-carotene
To Be Published
|
|
9J0U
 | | Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in F 41 3 2 space group | | Descriptor: | Dat: predicted D-alanine aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M. | | Deposit date: | 2024-08-03 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
To Be Published
|
|
9FLB
 | |
9FLO
 | | Crystal structure of human Haspin (GSG2) kinase bound to MU2181 | | Descriptor: | NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine | | Authors: | Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-06-05 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of human Haspin (GSG2) kinase bound to MU2181
To Be Published
|
|
9FR2
 | |
9ATX
 | |
4P0W
 | | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | | Descriptor: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
9FYF
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-07-03 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
To Be Published
|
|
4P8J
 | | Structure of ribB | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL | | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | | Deposit date: | 2014-03-31 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
|
|
9FLC
 | | Crystal structure of haspin (GSG2) in complex with MU1668 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine, GLYCEROL, ... | | Authors: | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-06-04 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with MU1668
To Be Published
|
|
9FET
 | |
9C11
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36R at cryogenic temperature | | Descriptor: | CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Domain-swapping promoted by the introduction of a charge in the hydrophobic interior of a protein
To Be Published
|
|
4P27
 | | Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein | | Authors: | Asojo, O.A. | | Deposit date: | 2014-03-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-04-25 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
|
|
9IUH
 | |
4P8H
 | | Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable decaprenylphosphoryl-beta-D-ribose oxidase, {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone | | Authors: | Neres, J, Cole, S.T. | | Deposit date: | 2014-03-31 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Non-mutagenic Nitrobenzothiazoles as Novel Anti-tubercular Agents: A Balance between Potency and Electron Affinity
To Be Published
|
|
4P2F
 | | Monomeric form of a single mutant (F363R) of Mycobacterial Adenylyl cyclase Rv1625c | | Descriptor: | 1,2-ETHANEDIOL, Adenylate cyclase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | | Deposit date: | 2014-03-04 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Iucrj, 1, 2014
|
|
