8TL4
 
 | | CRYO-EM STRUCTURE OF HIV-1 BG505DS-SOSIP.664 ENV TRIMER BOUND TO DJ85-e.01 FAB | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP Surface protein gp120, ... | | Authors: | Pletnev, S, Hoyt, F, Fischer, E, Kwong, P. | | Deposit date: | 2023-07-26 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Broad and potent HIV-1 neutralization in fusion peptide-primed SHIV-boosted macaques.
To Be Published
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1C9S
 | | CRYSTAL STRUCTURE OF A COMPLEX OF TRP RNA-BINDING ATTENUATION PROTEIN WITH A 53-BASE SINGLE STRANDED RNA CONTAINING ELEVEN GAG TRIPLETS SEPARATED BY AU DINUCLEOTIDES | | Descriptor: | SINGLE STRANDED RNA (55-MER), TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN | | Authors: | Antson, A.A, Dodson, E.J, Dodson, G.G, Greaves, R.B, Chen, X.-P, Gollnick, P. | | Deposit date: | 1999-08-03 | | Release date: | 1999-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the trp RNA-binding attenuation protein, TRAP, bound to RNA.
Nature, 401, 1999
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9FSV
 | | Yeast 20S proteasome with human beta2i (1-53) 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: | 2024-06-22 | | Release date: | 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
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6S4K
 | | The crystal structure of glycogen phosphorylase in complex with 12 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6FSX
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D. | | Deposit date: | 2018-02-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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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 | | 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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1C7D
 | | DEOXY RHB1.2 (RECOMBINANT HEMOGLOBIN) | | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brucker, E.A. | | Deposit date: | 2000-02-09 | | Release date: | 2000-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
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6HML
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | | Descriptor: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tucker, J.A, Barkauskaite, E. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6HAX
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | Deposit date: | 2018-08-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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1CDG
 | | NUCLEOTIDE SEQUENCE AND X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 IN A MALTOSE-DEPENDENT CRYSTAL FORM | | Descriptor: | CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Lawson, C.L, Van Montfort, R, Strokopytov, B.V, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. | | Deposit date: | 1993-08-02 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nucleotide sequence and X-ray structure of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 in a maltose-dependent crystal form.
J.Mol.Biol., 236, 1994
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6HTC
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with ONX 0914 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-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: | 2018-10-03 | | 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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6HW0
 | | Yeast 20S proteasome in complex with 7 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 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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1C7C
 | | DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brucker, E.A. | | Deposit date: | 2000-02-09 | | Release date: | 2000-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
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8B7D
 | | Luminal domain of TMEM106B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | Authors: | Pye, V.E, Roustan, C, Cherepanov, P. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | TMEM106B is a receptor mediating ACE2-independent SARS-CoV-2 cell entry.
Cell, 186, 2023
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1C7B
 | | DEOXY RHB1.0 (RECOMBINANT HEMOGLOBIN) | | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brucker, E.A. | | Deposit date: | 2000-02-09 | | Release date: | 2000-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
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5JIA
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6HV4
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with ONX 0914 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-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: | 2018-10-10 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (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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6HW4
 | | Yeast 20S proteasome 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: | 2018-10-11 | | 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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5OMZ
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5LJ5
 | | Overall structure of the yeast spliceosome immediately after branching. | | Descriptor: | CWC15, CWC22, Exon 1 (5' exon) of UBC4 pre-mRNA, ... | | Authors: | Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K. | | Deposit date: | 2016-07-17 | | Release date: | 2016-08-31 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
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6ASW
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.0 | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-08-25 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.605 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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6HVV
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 39 | | Descriptor: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-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 (2.7 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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6HWD
 | | Yeast 20S proteasome beta2-G45A mutant in complex with bortezomib | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | 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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6HVA
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 13 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-10 | | 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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6HW9
 | | Yeast 20S proteasome in complex with 41b | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-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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