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4GXG
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BU of 4gxg by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide (orthorhombic form; four subunits in asymmetric unit)
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
Deposit date:2012-09-04
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GXD
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BU of 4gxd by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L.
Deposit date:2012-09-04
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4H2Z
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BU of 4h2z by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE, ...
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L.
Deposit date:2012-09-13
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GIX
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BU of 4gix by Molmil
Crystal structure of human GLTP bound with 12:0 disulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L.
Deposit date:2012-08-09
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GHS
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BU of 4ghs by Molmil
Crystal structure of human GLTP bound with 12:0 disulfatide (orthorombic form; two subunits in asymmetric unit)
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Popov, A.N, Goni-de-Cerio, F, Cabo-Bilbao, A, Malinina, L.
Deposit date:2012-08-08
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GHP
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BU of 4ghp by Molmil
Crystal Structure of D48V||A47D mutant of Human GLTP bound with 12:0 monosulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L.
Deposit date:2012-08-08
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4HW1
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BU of 4hw1 by Molmil
Multiple Crystal structures of an all-AT DNA dodecamer stabilized by weak interactions.
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'), MAGNESIUM ION
Authors:Acosta-Reyes, F, Subirana, J.A, Pous, J, Condom, N, Malinina, L, Campos, J.L.
Deposit date:2012-11-07
Release date:2013-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
2M0R
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BU of 2m0r by Molmil
Solution structure and dynamics of human S100A14
Descriptor: Protein S100-A14
Authors:Bertini, I, Borsi, V, Cerofolini, L, Das Gupta, S, Fragai, M, Luchinat, C.
Deposit date:2012-11-05
Release date:2013-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and dynamics of human S100A14.
J.Biol.Inorg.Chem., 18, 2013
2MAI
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BU of 2mai by Molmil
NMR structure of lassomycin
Descriptor: Lassomycin
Authors:Gavrish, E, Sit, C.S, Kandror, O, Spoering, A, Peoples, A, Ling, L, Fetterman, A, Hughes, D, Cao, S, Bissell, A, Torrey, H, Akopian, T, Mueller, A, Epstein, S, Goldberg, A, Clardy, J, Lewis, K.
Deposit date:2013-07-09
Release date:2014-05-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Lassomycin, a Ribosomally Synthesized Cyclic Peptide, Kills Mycobacterium tuberculosis by Targeting the ATP-Dependent Protease ClpC1P1P2.
Chem.Biol., 21, 2014
9EXW
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BU of 9exw by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
Descriptor: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXX
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BU of 9exx by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
Descriptor: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
Descriptor: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
Descriptor: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
Descriptor: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
Descriptor: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
3LAQ
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BU of 3laq by Molmil
Structure-based engineering of species selectivity in the uPA-uPAR interaction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator
Authors:Huang, M.
Deposit date:2010-01-06
Release date:2010-02-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
9EXY
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BU of 9exy by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.
Descriptor: 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
2PQS
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BU of 2pqs by Molmil
Crystal Structure of the Bovine Lactadherin C2 Domain
Descriptor: Lactadherin
Authors:Huang, M, Furie, B.C.
Deposit date:2007-05-02
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the bovine lactadherin C2 domain, a membrane binding motif, shows similarity to the C2 domains of factor V and factor VIII.
J.Mol.Biol., 371, 2007
6TI5
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BU of 6ti5 by Molmil
A New Structural Model of Abeta(1-40) Fibrils
Descriptor: Amyloid-beta precursor protein
Authors:Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A.
Deposit date:2019-11-21
Release date:2020-07-22
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
7TM3
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BU of 7tm3 by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD Rhodopsin intermediate in complex with the multipass translocon
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S.
Deposit date:2022-01-19
Release date:2022-10-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
7TUT
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BU of 7tut by Molmil
Structure of the rabbit 80S ribosome stalled on a 4-TMD Rhodopsin intermediate in complex with the multipass translocon
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S.
Deposit date:2022-02-03
Release date:2022-10-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
3P8X
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BU of 3p8x by Molmil
Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18
Descriptor: (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Rochel, N, Sato, Y, Moras, D.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
4UQH
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BU of 4uqh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ...
Authors:Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2014-06-23
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
5FCS
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BU of 5fcs by Molmil
Diabody
Descriptor: Diabody, SULFATE ION
Authors:Mosyak, L, Root, A.
Deposit date:2015-12-15
Release date:2016-12-14
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016

221716

數據於2024-06-26公開中

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