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7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
Descriptor: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-09
Release date:2020-06-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
6PPW
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BU of 6ppw by Molmil
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate
Descriptor: D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase
Authors:Rosanally, A.Z, Junop, M.S, Berti, P.J.
Deposit date:2019-07-08
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PCH
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BU of 6pch by Molmil
E. coli 50S ribosome bound to compound 21
Descriptor: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-17
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PPX
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BU of 6ppx by Molmil
Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis in complex with malate
Descriptor: D-MALATE, N-acetylneuraminate synthase
Authors:Rosanally, A.Z, Junop, M.S, Berti, P.J.
Deposit date:2019-07-08
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PPZ
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BU of 6ppz by Molmil
Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc)
Descriptor: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ...
Authors:Berti, P.J, Junop, M.S.
Deposit date:2019-07-08
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PC7
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BU of 6pc7 by Molmil
E. coli 50S ribosome bound to compound 46
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-16
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PC8
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BU of 6pc8 by Molmil
E. coli 50S ribosome bound to compound 40q
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-16
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
7CLF
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BU of 7clf by Molmil
PigF with SAH
Descriptor: ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-20
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
7CLU
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BU of 7clu by Molmil
PigF with SAH
Descriptor: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
1GG3
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BU of 1gg3 by Molmil
CRYSTAL STRUCTURE OF THE PROTEIN 4.1R MEMBRANE BINDING DOMAIN
Descriptor: ERYTHROID MEMBRANE PROTEIN 4.1R
Authors:Han, B.G.
Deposit date:2000-07-11
Release date:2001-01-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Protein 4.1R core domain structure and insights into regulation of cytoskeletal organization.
Nat.Struct.Biol., 7, 2000
4PPM
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BU of 4ppm by Molmil
Crystal structure of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Descriptor: Aminotransferase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Lou, X.D, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2014-02-27
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Biochem.Biophys.Res.Commun., 447, 2014
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid.
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
Authors:Raymond, D.D, Chug, H, Harrison, S.C.
Deposit date:2020-06-08
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
Descriptor: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
Authors:Hilbert, B.J.
Deposit date:2023-08-07
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
5VY7
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BU of 5vy7 by Molmil
A self-assembling L-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
5VY6
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BU of 5vy6 by Molmil
A self-assembling D-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
6IJ1
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BU of 6ij1 by Molmil
Crystal structure of a protein from Actinoplanes
Descriptor: ACETATE ION, IMIDAZOLE, Prenylcyclase
Authors:Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-10-08
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:Crystal structure of TchmY from Actinoplanes teichomyceticus.
Acta Crystallogr.,Sect.F, 75, 2019
8DF1
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BU of 8df1 by Molmil
Chi3l1 bound by antibody C59
Descriptor: C59 Fab Heavy chain, C59 Fab Light chain, Chitinase-3-like protein 1, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2022-06-21
Release date:2023-03-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A novel humanized Chi3l1 blocking antibody attenuates acetaminophen-induced liver injury in mice.
Antib Ther, 6, 2023
4TTR
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BU of 4ttr by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with Bu2
Descriptor: 1,3-BUTANEDIOL, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Yu, D, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
4TTP
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BU of 4ttp by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in apo-form
Descriptor: Dephospho-CoA kinase
Authors:Gong, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
4TTQ
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BU of 4ttq by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Chen, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
5FPU
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BU of 5fpu by Molmil
Crystal structure of human JARID1B in complex with GSKJ1
Descriptor: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016

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