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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
分子名称: ACETATE ION, ACETONITRILE, CEST-2923, ...
著者Benavente, R, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M.
登録日2013-07-30
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
6EVS
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BU of 6evs by Molmil
Characterization of 2-deoxyribosyltransferase from psychrotolerant bacterium Bacillus psychrosaccharolyticus: a suitable biocatalyst for the industrial synthesis of antiviral and antitumoral nucleosides
分子名称: N-deoxyribosyltransferase
著者Fresco-Tabohada, A, Fernandez-Lucas, J, Acebal, C, Arroyo, M, Ramon, F, Mancheno, J.M, de la Mata, I.
登録日2017-11-02
公開日2018-11-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2'-Deoxyribosyltransferase from Bacillus psychrosaccharolyticus: A Mesophilic-Like Biocatalyst for the Synthesis of Modified Nucleosides from a Psychrotolerant Bacterium
Catalysts, 2019
4RVH
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BU of 4rvh by Molmil
Crystal structure of MtmC in complex with SAH and TDP-4-keto-D-olivose
分子名称: D-mycarose 3-C-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
著者Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
登録日2014-11-26
公開日2015-01-28
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: ACETATE ION, D-mycarose 3-C-methyltransferase, S-ADENOSYLMETHIONINE, ...
著者Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
登録日2014-11-26
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: ACETATE ION, D-mycarose 3-C-methyltransferase, S-ADENOSYLMETHIONINE, ...
著者Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
登録日2014-11-26
公開日2015-01-28
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: D-mycarose 3-C-methyltransferase, THYMIDINE-5'-DIPHOSPHATE, ZINC ION
著者Tsodikov, O.V, Hou, C, Chen, J.-M, Rohr, J.
登録日2014-11-26
公開日2015-01-28
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: ACETATE ION, CHLORIDE ION, D-mycarose 3-C-methyltransferase, ...
著者Hou, C, Chen, J.-M, Rohr, J, Tsodikov, O.V.
登録日2014-11-25
公開日2015-02-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
8T4A
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BU of 8t4a by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_36 Fab and RM20A3 Fab
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-08
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献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
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-08
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-09
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献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
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-09
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-09
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, MD65 N332-GT5 SOSIP gp41, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-08
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献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
分子名称: Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab
著者Bernard, S.M, Wilson, I.A.
登録日2019-03-22
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
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
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2018-12-19
公開日2019-11-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献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
分子名称: 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, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2016-08-26
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献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
分子名称: 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
著者Kurumbail, R.G, Chang, J.S.
登録日2016-05-23
公開日2016-09-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3AYK
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BU of 3ayk by Molmil
CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ...
著者Powers, R, Moy, F.J.
登録日1999-02-01
公開日1999-06-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Biochemistry, 38, 1999
4AYK
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BU of 4ayk by Molmil
CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES
分子名称: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ...
著者Powers, R, Moy, F.J.
登録日1999-02-01
公開日1999-06-05
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Biochemistry, 38, 1999
5HI5
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BU of 5hi5 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
分子名称: (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, ...
著者Liu, S.
登録日2016-01-11
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (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, ...
著者Liu, S.
登録日2016-01-11
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
分子名称: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
著者Liu, S.
登録日2016-01-11
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
3LAL
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BU of 3lal by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor
分子名称: 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
3LAK
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BU of 3lak by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor
分子名称: 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ...
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
4ISY
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BU of 4isy by Molmil
Crystal structure of IscS from Mycobacterium tuberculosis
分子名称: Cysteine desulfurase, GLYCEROL, SULFATE ION
著者Rybniker, J, Pojer, F, Cole, S.T.
登録日2013-01-17
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The cysteine desulfurase IscS of Mycobacterium tuberculosis is involved in iron-sulfur cluster biogenesis and oxidative stress defence.
Biochem.J., 459, 2014

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