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3WD4
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BU of 3wd4 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
Descriptor: (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WD2
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BU of 3wd2 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WG2
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BU of 3wg2 by Molmil
Crystal structure of Agrocybe cylindracea galectin mutant (N46A)
Descriptor: Galactoside-binding lectin, TRIETHYLENE GLYCOL
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WD3
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BU of 3wd3 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, GLYCEROL, SULFATE ION, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
3WG4
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BU of 3wg4 by Molmil
Crystal structure of Agrocybe cylindracea galectin mutant (N46A) with blood type A antigen tetraose
Descriptor: DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WG3
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BU of 3wg3 by Molmil
Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ...
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WD0
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BU of 3wd0 by Molmil
Serratia marcescens Chitinase B, tetragonal form
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors:Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
4Q6N
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BU of 4q6n by Molmil
Structural analysis of the tripeptide-bound form of Helicobacter pylori Csd4, a D,L-carboxypeptidase
Descriptor: CALCIUM ION, Conserved hypothetical secreted protein, GLYCEROL, ...
Authors:Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W.
Deposit date:2014-04-23
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
4Q6M
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BU of 4q6m by Molmil
Structural analysis of the apo-form of Helicobacter pylori Csd4, a D,L-carboxypeptidase
Descriptor: CALCIUM ION, Conserved hypothetical secreted protein, GLYCEROL
Authors:Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W.
Deposit date:2014-04-23
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
4HI3
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BU of 4hi3 by Molmil
Crystal structure of dimeric R298A mutant of SARS coronavirus main protease
Descriptor: 3C-like proteinase
Authors:Wu, C.-G, Chou, C.-Y.
Deposit date:2012-10-11
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Mechanism for controlling the monomer-dimer conversion of SARS coronavirus main protease.
Acta Crystallogr.,Sect.D, 69, 2013
4L01
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BU of 4l01 by Molmil
Crystal structure of the V658F apo Jak1 pseudokinase domain
Descriptor: Tyrosine-protein kinase JAK1
Authors:Toms, A.V, Rogers, J.M, Eck, M.J.
Deposit date:2013-05-30
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases.
Nat.Struct.Mol.Biol., 20, 2013
4L00
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BU of 4l00 by Molmil
Crystal structure of the apo Jak1 pseudokinase domain
Descriptor: Tyrosine-protein kinase JAK1
Authors:Toms, A.V, Eck, M.J.
Deposit date:2013-05-30
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases.
Nat.Struct.Mol.Biol., 20, 2013
4MHN
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BU of 4mhn by Molmil
Crystal structure of a glutaminyl cyclase from Ixodes scapularis
Descriptor: Glutaminyl cyclase, putative, ZINC ION
Authors:Huang, K.F, Hsu, H.L, Wang, A.H.J.
Deposit date:2013-08-30
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
4MHY
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BU of 4mhy by Molmil
Crystal structure of a glutaminyl cyclase from Ixodes scapularis in complex with PBD150
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl cyclase, putative, ...
Authors:Huang, K.F, Hsu, H.L, Wang, A.H.J.
Deposit date:2013-08-30
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
4MHP
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BU of 4mhp by Molmil
Crystal structure of apo-form of glutaminyl cyclase from Ixodes scapularis
Descriptor: Glutaminyl cyclase, putative
Authors:Huang, K.F, Hsu, H.L, Wang, A.H.J.
Deposit date:2013-08-30
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
5VYG
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BU of 5vyg by Molmil
Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide
Descriptor: CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose
Authors:Yu, H.J, Li, H.L.
Deposit date:2017-05-25
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
7QHS
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BU of 7qhs by Molmil
S. cerevisiae CMGE nucleating origin DNA melting
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
Authors:Lewis, J.S, Sousa, J.S, Costa, A.
Deposit date:2021-12-14
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of replication origin melting nucleated by CMG helicase assembly.
Nature, 606, 2022
5OY5
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BU of 5oy5 by Molmil
Monomeric crystal structure of RpBphP1 photosensory core domain from the bacterium Rhodopseudomonas palustris
Descriptor: BILIVERDINE IX ALPHA, BphP1
Authors:Papiz, M.Z, Bellini, D.
Deposit date:2017-09-07
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the light-induced molecular switch of the bacteriophytochrome RpBphP1 probed by SAXS, modelling and UV-Vis optical properties
To Be Published
4DOR
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BU of 4dor by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1
Descriptor: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2
Authors:Musille, P.M, Ortlund, E.A.
Deposit date:2012-02-10
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
4DOS
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BU of 4dos by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ...
Authors:Musille, P.M, Ortlund, E.A.
Deposit date:2012-02-10
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
5BKE
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BU of 5bke by Molmil
Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine
Descriptor: Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BK9
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BU of 5bk9 by Molmil
AAD-1 Bound to the Vanadyl Ion and Succinate
Descriptor: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, PHOSPHATE ION, SUCCINIC ACID, ...
Authors:Ongpipattanakul, C, Chekan, J.R.
Deposit date:2019-06-01
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
4YWL
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BU of 4ywl by Molmil
Pyrococcus furiosus MCM N-terminal domain F179A point mutant pentameric ring
Descriptor: Cell division control protein 21, SULFATE ION, ZINC ION
Authors:Froelich, C.A, Enemark, E.J.
Deposit date:2015-03-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:MCM ring hexamerization is a prerequisite for DNA-binding.
Nucleic Acids Res., 43, 2015
4YWK
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BU of 4ywk by Molmil
Pyrococcus furiosus MCM N-terminal domain with Zinc-binding subdomain B deleted
Descriptor: Cell division control protein 21
Authors:Froelich, C.A, Enemark, E.J.
Deposit date:2015-03-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:MCM ring hexamerization is a prerequisite for DNA-binding.
Nucleic Acids Res., 43, 2015
4MFQ
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BU of 4mfq by Molmil
The crystal structure of acyltransferase in complex with CoA and 10C-Teicoplanin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, COENZYME A, ...
Authors:Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014

223532

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