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4C01
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BU of 4c01 by Molmil
Complete crystal structure of carboxylesterase Cest-2923 (lp_2923) from Lactobacillus plantarum WCFS1
Descriptor: ACETATE ION, ACETONITRILE, CEST-2923, ...
Authors:Benavente, R, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M.
Deposit date:2013-07-30
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
6QAI
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BU of 6qai by Molmil
2-desoxiribosyltransferase from Leishmania mexicana
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-Deoxyribosyltransferase
Authors:Crespo, N, Mancheno, J.M.
Deposit date:2018-12-19
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases.
Appl.Microbiol.Biotechnol., 101, 2017
4RVH
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BU of 4rvh by Molmil
Crystal structure of MtmC in complex with SAH and TDP-4-keto-D-olivose
Descriptor: D-mycarose 3-C-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
Deposit date:2014-11-26
Release date:2015-01-28
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
4RVG
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BU of 4rvg by Molmil
Crystal structure of MtmC in complex with SAM and TDP
Descriptor: ACETATE ION, D-mycarose 3-C-methyltransferase, S-ADENOSYLMETHIONINE, ...
Authors:Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
Deposit date:2014-11-26
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
4RVD
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BU of 4rvd by Molmil
Crystal structure of MtmC in complex with SAM
Descriptor: ACETATE ION, D-mycarose 3-C-methyltransferase, S-ADENOSYLMETHIONINE, ...
Authors:Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
Deposit date:2014-11-26
Release date:2015-01-28
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
4RVF
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BU of 4rvf by Molmil
Crystal structure of MtmC in complex with TDP
Descriptor: D-mycarose 3-C-methyltransferase, THYMIDINE-5'-DIPHOSPHATE, ZINC ION
Authors:Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
Deposit date:2014-11-26
Release date:2015-01-28
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
4RV9
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BU of 4rv9 by Molmil
Crystal structure of MtmC in complex with SAH
Descriptor: ACETATE ION, CHLORIDE ION, D-mycarose 3-C-methyltransferase, ...
Authors:Hou, C, Chen, J.-M, Rohr, J, Tsodikov, O.V.
Deposit date:2014-11-25
Release date:2015-02-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
6NFC
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BU of 6nfc by Molmil
BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP42 fragmentantigen binding and base-binding RM20A3 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP42 fragment antigen binding heavy chain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2018-12-19
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
8T4A
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BU of 8t4a by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_36 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T49
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BU of 8t49 by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_03 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4L
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BU of 8t4l by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-09
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4K
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BU of 8t4k by Molmil
MD64 N332-GT5 SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD64 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-09
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4D
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BU of 8t4d by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_08 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-09
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4B
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BU of 8t4b by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_32 Fab and RM20A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, MD65 N332-GT5 SOSIP gp41, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
6OC7
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BU of 6oc7 by Molmil
HMP42 Fab in complex with Protein G
Descriptor: Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2019-03-22
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
5T3S
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BU of 5t3s by Molmil
HIV gp140 trimer MD39-10MUTA in complex with Fabs PGT124 and 35022
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:Stanfield, R.L, Wilson, I.A.
Deposit date:2016-08-26
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:HIV Vaccine Design to Target Germline Precursors of Glycan-Dependent Broadly Neutralizing Antibodies.
Immunity, 45, 2016
5K5N
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BU of 5k5n by Molmil
Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor
Descriptor: 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, Glycogen synthase kinase-3 beta, SULFATE ION
Authors:Kurumbail, R.G, Chang, J.S.
Deposit date:2016-05-23
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.
Angew.Chem.Int.Ed.Engl., 55, 2016
3UHM
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BU of 3uhm by Molmil
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor
Descriptor: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, 1,2-ETHANEDIOL, GUANIDINE, ...
Authors:Montgomery, J, Liu, S.
Deposit date:2011-11-03
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections.
J.Med.Chem., 55, 2012
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HI5
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BU of 5hi5 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HI4
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BU of 5hi4 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
2I4D
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BU of 2i4d by Molmil
Crystal structure of WT HIV-1 protease with GS-8373
Descriptor: ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID, Protease
Authors:Hatada, M.
Deposit date:2006-08-21
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
2I4V
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BU of 2i4v by Molmil
HIV-1 protease I84V, L90M with TMC126
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease
Authors:Hatada, M.
Deposit date:2006-08-22
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
2I4W
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BU of 2i4w by Molmil
HIV-1 protease WT with GS-8374
Descriptor: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease
Authors:Hatada, M.
Deposit date:2006-08-22
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
2I4U
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BU of 2i4u by Molmil
HIV-1 protease with TMC-126
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease
Authors:Hatada, M.
Deposit date:2006-08-22
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006

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数据于2024-07-10公开中

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