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6JDL
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BU of 6jdl by Molmil
Central domain of FleQ H287A mutant in complex with ATPgS and Mg
Descriptor: MAGNESIUM ION, Nitrogen assimilation regulatory protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Jain, D, Banerjee, P, Chanchal
Deposit date:2019-02-01
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Sensor I Regulated ATPase Activity of FleQ Is Essential for Motility to Biofilm Transition inPseudomonas aeruginosa.
Acs Chem.Biol., 14, 2019
6BGJ
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BU of 6bgj by Molmil
Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG
Descriptor: Anoctamin-1, CALCIUM ION
Authors:Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y.
Deposit date:2017-10-28
Release date:2017-12-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
7K51
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BU of 7k51 by Molmil
Mid-translocated non-frameshifting(CCA-A) complex with EF-G and GDPCP (Structure II)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A.
Deposit date:2020-09-16
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
6P94
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BU of 6p94 by Molmil
Human APE1 C65A AP-endonuclease product complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Whitaker, A.W, Stark, W.J, Freudenthal, B.D.
Deposit date:2019-06-09
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
6P9G
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BU of 6p9g by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
Descriptor: (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
6BIL
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BU of 6bil by Molmil
HLA-DRB1 in complex with citrullinated fibrinogen peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, HLA class II histocompatibility antigen, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-11-02
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
3ANJ
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BU of 3anj by Molmil
Crystal structure of unsaturated glucuronyl hydrolase from Streptcoccus agalactiae
Descriptor: Putative uncharacterized protein gbs1889
Authors:Nakamichi, Y, Maruyama, Y, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2010-09-02
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural determinants in streptococcal unsaturated glucuronyl hydrolase for recognition of glycosaminoglycan sulfate groups
J.Biol.Chem., 286, 2011
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
7JLR
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BU of 7jlr by Molmil
Crystal structure of Bacillus subtilis UppS in complex with JPD447
Descriptor: 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-30
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
3ANK
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BU of 3ank by Molmil
Crystal structure of unsaturated glucuronyl hydrolase mutant D175N from Streptcoccus agalactiae complexed with dGlcA-GalNAc6S
Descriptor: 1,2-ETHANEDIOL, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, Putative uncharacterized protein gbs1889
Authors:Nakamichi, Y, Maruyama, Y, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2010-09-02
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural determinants in streptococcal unsaturated glucuronyl hydrolase for recognition of glycosaminoglycan sulfate groups
J.Biol.Chem., 286, 2011
6JEN
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BU of 6jen by Molmil
Structure of Phytolacca americana UGT2 complexed with UDP-2fluoro-glucose and pterostilbene
Descriptor: Glycosyltransferase, Pterostilbene, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Maharjan, R, Fukuda, Y, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T.
Deposit date:2019-02-06
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Biochemistry, 59, 2020
6JDK
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BU of 6jdk by Molmil
Crystal structure of Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans
Descriptor: Baeyer-Villiger monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Kim, J.-S, Nguyen, T.D.
Deposit date:2019-02-01
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural basis for the selective addition of an oxygen atom to cyclic ketones by Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans.
Biochem. Biophys. Res. Commun., 512, 2019
5UHN
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BU of 5uhn by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring a N549H/E565A Double Gain-of-Function Mutation
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-11
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
6PAO
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BU of 6pao by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JE8
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BU of 6je8 by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6PCM
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BU of 6pcm by Molmil
Crystal Structure of Mycobacterium smegmatis Topoisomerase I with ssDNA bound to both N- and C-terminal domains
Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*GP*CP*GP*AP*GP*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*CP*TP*T)-3'), DNA topoisomerase 1, SULFATE ION
Authors:Tan, K, Cao, N, Tse-Dinh, Y.C.
Deposit date:2019-06-17
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.107 Å)
Cite:Mechanistic insights from structure of Mycobacterium smegmatis topoisomerase I with ssDNA bound to both N- and C-terminal domains.
Nucleic Acids Res., 48, 2020
6BY3
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BU of 6by3 by Molmil
Open and conductive conformation of KcsA-T75A mutant
Descriptor: Antibody Heavy Chain, Antibody Light Chain, DIACYL GLYCEROL, ...
Authors:Labro, A.J, Cortes, D.M, Tilegenova, C, Cuello, L.G.
Deposit date:2017-12-19
Release date:2018-05-09
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Inverted allosteric coupling between activation and inactivation gates in K+channels.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6PD8
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BU of 6pd8 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39
Descriptor: 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDC
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BU of 6pdc by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
7KCH
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BU of 7kch by Molmil
Myosin XI-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Alushin, G.M.
Deposit date:2020-10-05
Release date:2021-01-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Optical control of fast and processive engineered myosins in vitro and in living cells.
Nat.Chem.Biol., 17, 2021
5UA4
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BU of 5ua4 by Molmil
Crystal structure of A179L:Bid BH3 complex
Descriptor: 5-HL, BH3-interacting domain death agonist
Authors:Banjara, S, Caria, S, Kvansakul, M.
Deposit date:2016-12-18
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis.
J. Virol., 91, 2017
6JI6
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BU of 6ji6 by Molmil
Crystal structure of glutathione S-transferase complexed and modified with glutathione
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTATHIONE, ...
Authors:Okajima, T, Arai, R.
Deposit date:2019-02-20
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of glutathione S-transferase complexed and modified with glutathione
To Be Published
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
Descriptor: 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
3AHT
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BU of 3aht by Molmil
Crystal structure of rice BGlu1 E176Q mutant in complex with laminaribiose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
Authors:Chuenchor, W, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Svasti, J, Ketudat Cairns, J.R.
Deposit date:2010-04-29
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase
J.Struct.Biol., 173, 2011
2N4U
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BU of 2n4u by Molmil
NMR structure of Fbp28 WW domain E454Y mutant
Descriptor: Transcription elongation regulator 1
Authors:Medina, J, Macias, M, Martin-Malpartida, P, Scheraga, H.A.
Deposit date:2015-07-01
Release date:2015-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Preventing fibril formation of a protein by selective mutation.
Proc.Natl.Acad.Sci.USA, 112, 2015

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