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4YE7
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BU of 4ye7 by Molmil
N-terminal domain of Orf22, a Cydia pomonella granulovirus envelope protein
Descriptor: ACETATE ION, ORF22 similar to XcGV ORF19
Authors:Busby, J.N, Metcalf, P.
Deposit date:2015-02-23
Release date:2016-03-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of granulovirus envelope fibres.
To Be Published
8P8N
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BU of 8p8n by Molmil
Mouse RPL39 integrated into the yeast 60S ribosomal subunit
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
Deposit date:2023-06-02
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Yeast 60S ribosomal subunit, RPL39 deletion
To Be Published
8P8U
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BU of 8p8u by Molmil
Yeast 60S ribosomal subunit
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
Deposit date:2023-06-02
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.23 Å)
Cite:Yeast 60S ribosomal subunit
To Be Published
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
8CD8
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BU of 8cd8 by Molmil
Ulilysin - C269A with AEBSF complex
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ...
Authors:Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Dalton Trans, 52, 2023
5ZYR
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BU of 5zyr by Molmil
Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, ...
Authors:Oonanant, W, Phongsak, T, Sucharitakul, J, Chaiyen, P, Yuvaniyama, J.
Deposit date:2018-05-28
Release date:2019-06-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.20001316 Å)
Cite:Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
To Be Published
1MNF
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BU of 1mnf by Molmil
Domain motions in GroEL upon binding of an oligopeptide
Descriptor: 12-residue peptide substrate, groEL protein
Authors:Wang, J, Chen, L.
Deposit date:2002-09-05
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Domain Motions in GroEL upon Binding of an Oligopeptide.
J.Mol.Biol., 334, 2003
1N51
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BU of 1n51 by Molmil
Aminopeptidase P in complex with the inhibitor apstatin
Descriptor: MANGANESE (II) ION, Xaa-Pro aminopeptidase, apstatin
Authors:Graham, S.C, Maher, M.J, Lee, M.H, Simmons, W.H, Freeman, H.C, Guss, J.M.
Deposit date:2002-11-03
Release date:2003-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Escherichia coli aminopeptidase P in complex with the inhibitor apstatin.
Acta Crystallogr.,Sect.D, 60, 2004
7ZFR
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BU of 7zfr by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-04-01
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
8XWX
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BU of 8xwx by Molmil
Crystal structure of FIS1-BAP31 complex from human
Descriptor: B-cell receptor-associated protein 31, BETA-MERCAPTOETHANOL, Mitochondrial fission 1 protein, ...
Authors:Nguyen, M.D, Bong, S.M, Lee, B.I.
Deposit date:2024-01-17
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A crystal structure containing FIS1 and BAP31 suggests the clue for FIS1-BAP31 interaction
To Be Published
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-02
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-01
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
4ZBJ
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BU of 4zbj by Molmil
UBN1 peptide bound to H3.3/H4/Asf1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Histone H3, ...
Authors:Marmorstein, R, Ricketts, M.D, Tang, Y.
Deposit date:2015-04-14
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Ubinuclein-1 confers histone H3.3-specific-binding by the HIRA histone chaperone complex.
Nat Commun, 6, 2015
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
Authors:Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
Descriptor: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBB
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BU of 7zbb by Molmil
HaloTag with TRaQ-G-ctrl ligand
Descriptor: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
Descriptor: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
1YT5
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BU of 1yt5 by Molmil
Crystal structure of NAD kinase from Thermotoga maritima
Descriptor: SULFATE ION, inorganic polyphosphate/ATP-NAD kinase
Authors:Berkeley Structural Genomics Center (BSGC)
Deposit date:2005-02-09
Release date:2005-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a NAD kinase from Thermotoga maritima at 2.3 A resolution.
Acta Crystallogr.,Sect.F, 61, 2005
7SQM
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BU of 7sqm by Molmil
Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria
Descriptor: 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin
Authors:Shu, W, Yokokawa, F.
Deposit date:2021-11-05
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
Authors:Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
Deposit date:2018-07-27
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019

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