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1M4H
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BU of 1m4h by Molmil
Crystal Structure of Beta-secretase complexed with Inhibitor OM00-3
分子名称: Inhibitor OM00-3, beta-Secretase
著者Hong, L, Turner, R.T, Koelsch, G, Ghosh, A.K, Tang, J.
登録日2002-07-02
公開日2002-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Memapsin 2 (beta-Secretase) in Complex with Inhibitor OM00-3
Biochemistry, 41, 2002
1AXA
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BU of 1axa by Molmil
ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Hartsuck, J.A, Foundling, S, Ermolieff, J, Tang, J.
登録日1997-10-13
公開日1998-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant.
Protein Sci., 7, 1998
1A9M
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BU of 1a9m by Molmil
G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Zhang, X.-J, Foundling, S, Hartsuck, J.A, Tang, J.
登録日1998-04-08
公開日1998-06-17
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs.
FEBS Lett., 420, 1997
1GNO
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BU of 1gno by Molmil
HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR)
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J.
登録日1996-05-04
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1GNN
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BU of 1gnn by Molmil
HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR)
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J.
登録日1996-05-04
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1GNM
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BU of 1gnm by Molmil
HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR)
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J.
登録日1996-05-04
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
1FKN
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BU of 1fkn by Molmil
Structure of Beta-Secretase Complexed with Inhibitor
分子名称: MEMAPSIN 2, inhibitor
著者Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J.
登録日2000-08-09
公開日2000-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor.
Science, 290, 2000
1FB7
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BU of 1fb7 by Molmil
CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE
著者Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J.
登録日2000-07-14
公開日2000-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
Protein Sci., 9, 2000
1SGZ
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BU of 1sgz by Molmil
Crystal Structure of Unbound Beta-Secretase Catalytic Domain.
分子名称: Beta-secretase
著者Hong, L, Tang, J.
登録日2004-02-24
公開日2004-05-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flap Position of Free Memapsin 2 (beta-Secretase), a Model for Flap Opening in Aspartic Protease Catalysis
Biochemistry, 43, 2004
5K92
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BU of 5k92 by Molmil
Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide
分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-05-31
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
5KB0
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BU of 5kb0 by Molmil
Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1H
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BU of 7c1h by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1S
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BU of 7c1s by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC
分子名称: Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1K
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BU of 7c1k by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
5KB1
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BU of 5kb1 by Molmil
Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ...
著者Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
5U9T
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BU of 5u9t by Molmil
The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment
分子名称: ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ...
著者Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
登録日2016-12-18
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
5U9U
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BU of 5u9u by Molmil
De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands
分子名称: Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-12-18
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
5KB2
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BU of 5kb2 by Molmil
Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3-
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
6EGP
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BU of 6egp by Molmil
Crystal Structure of a Trigonal Pyramidal Pb(II)S3 Complex in a Three-stranded Coiled coil Peptide
分子名称: LEAD (II) ION, Pb(II)(GRAND CoilSerL12AL16C)3-, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of a Trigonal Pyramidal Pb(II)S3 Complex in a Three-stranded Coiled coil Peptide
To Be Published
6EGO
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BU of 6ego by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing an Ala Residue in the Second Coordination Sphere of the Hg(II)S3 Binding Site
分子名称: Hg(II)(GRAND CoilSerL12AL16C)3-, MERCURY (II) ION, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
6EGM
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Crystal Structure of a de novo Three-stranded Coiled Coil Peptide Containing D-Leu in a d-site Position of a Tris-thiolate Binding Site
分子名称: Apo-(GRAND CoilSerL16CL19(DLE))3, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019

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