6RLL
 
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | Brown, D.G, Robinson, C.M, Pande, V. | | Deposit date: | 2019-05-02 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode
To Be Published
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7SCH
 | | Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer | | Descriptor: | Exostosin-1, Exostosin-2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Li, H, Li, H. | | Deposit date: | 2021-09-28 | | Release date: | 2022-09-28 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
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3JW1
 | | Crystal Structure of Bovine Pancreatic Ribonuclease Complexed with Uridine-5'-monophosphate at 1.60 A Resolution | | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | | Authors: | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | | Deposit date: | 2009-09-17 | | Release date: | 2009-10-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of bovine pancreatic ribonuclease complexed with uridine 5'-monophosphate at 1.60 A resolution.
Acta Crystallogr.,Sect.F, 66, 2010
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3JX8
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5VX2
 | | Mcl-1 in complex with Bim-h3Pc-RT | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-11-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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3WOW
 | | Crystal structure of human CK2a with AMPPNP | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, MAGNESIUM ION, ... | | Authors: | Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I, Shimada, K, Tanaka, M. | | Deposit date: | 2014-01-06 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A hydrophobic residue divergence of CK2a contribute to a species-dependent variation for apigenin binding mode but not for an ATP analogue
To be Published
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9GHY
 | | Cyclophilin A in complex with Sanglifehrin A analogue (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone | | Descriptor: | (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Meyners, C, Dreizler, J.K, Hausch, F. | | Deposit date: | 2024-08-16 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Toward Dual Targeting of Catalytic and Gatekeeper Pockets in Cyclophilins Using a Macrocyclic Scaffold.
Acs Med.Chem.Lett., 15, 2024
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6GRY
 | | Glucuronoyl Esterase from Solibacter usitatus. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | | Deposit date: | 2018-06-12 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.0003376 Å) | | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
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5Z7A
 | | Crystal structure of NDP52 SKICH region | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | | Authors: | Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q. | | Deposit date: | 2018-01-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5NHT
 | | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | Deposit date: | 2017-03-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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1I8Y
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9FST
 | | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-11-13 | | 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
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7ZK3
 | | Structure of 1PBC- and calcium-bound mTMEM16A(ac) chloride channel at 2.85 A resolution | | Descriptor: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, Anoctamin-1, CALCIUM ION | | Authors: | Lam, A.K.M, Rutz, S, Dutzler, R. | | Deposit date: | 2022-04-12 | | Release date: | 2022-05-25 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Inhibition mechanism of the chloride channel TMEM16A by the pore blocker 1PBC.
Nat Commun, 13, 2022
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6J20
 | | Crystal structure of the human NK1 substance P receptor | | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | Deposit date: | 2018-12-30 | | Release date: | 2019-03-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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4YRQ
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4YVD
 | | Crytsal structure of human Pleiotropic Regulator 1 (PRL1) | | Descriptor: | CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ... | | Authors: | Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-19 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
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7Z5S
 | | Crystal Structure of botulinum neurotoxin A2 cell binding domain in complex with GD1a | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin, HEXAETHYLENE GLYCOL, ... | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B. | | Deposit date: | 2022-03-10 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain.
Toxins, 14, 2022
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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8XN5
 | | Cryo-EM structure of SARS-CoV-2 Omicron EG.5.1 spike protein(6P) in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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8XN3
 | | SARS-CoV-2 Omicron HV.1 RBD in complex with human ACE2 (local refinement from the spike protein) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-28 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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8XNK
 | | Cryo-EM structure of SARS-CoV-2 Omicron HV.1 spike protein(6P) in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-30 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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2ZSU
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6ZTQ
 | | Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J. | | Deposit date: | 2020-07-20 | | Release date: | 2020-10-21 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
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6FT0
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-425
To be published
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8E6O
 | | Crystal structure of human GCN5 histone acetyltransferase domain | | Descriptor: | Histone acetyltransferase KAT2A, S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate | | Authors: | Lu, X.T, Tao, Y.J. | | Deposit date: | 2022-08-23 | | Release date: | 2024-02-28 | | Last modified: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | ACSS2 acts as a lactyl-CoA synthetase and couples KAT2A to function as a lactyltransferase for histone lactylation and tumor immune evasion.
Cell Metab., 37, 2025
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