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1LCX
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BU of 1lcx by Molmil
NMR structure of HIV-1 gp41 659-671 13mer peptide
分子名称: GP41
著者Biron, Z, Khare, S, Samson, A.O, Hayek, Y, Naider, F, Anglister, J.
登録日2002-04-07
公開日2002-12-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide Representing the Neutralizing Determinant of HIV-1 on gp41.
Biochemistry, 41, 2002
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
1LQH
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BU of 1lqh by Molmil
INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: INSECT TOXIN ALPHA
著者Tugarinov, V, Kustanovich, I, Zilberberg, N, Gurevitz, M, Anglister, J.
登録日1996-06-17
公開日1997-03-12
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of a highly insecticidal recombinant scorpion alpha-toxin and a mutant with increased activity.
Biochemistry, 36, 1997
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
1ITZ
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BU of 1itz by Molmil
Maize Transketolase in complex with TPP
分子名称: MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase
著者Gerhardt, S, Echt, S, Bader, G, Freigang, J, Busch, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-15
公開日2003-02-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and properties of an engineered transketolase from maize
PLANT PHYSIOL., 132, 2003
1O5E
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BU of 1o5e by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1NIZ
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BU of 1niz by Molmil
NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody
分子名称: Exterior membrane glycoprotein(GP120)
著者Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J.
登録日2002-12-30
公開日2003-02-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Alternative Conformations of HIV-1 V3 Loops Mimic beta Hairpins in Chemokines, Suggesting a Mechanism for Coreceptor Selectivity.
Structure, 11, 2003
1NJ0
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BU of 1nj0 by Molmil
NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody
分子名称: Exterior membrane glycoprotein(GP120)
著者Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J.
登録日2002-12-30
公開日2003-02-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Alternative Conformations of HIV-1 V3 Loops Mimic beta Hairpins in Chemokines, Suggesting a Mechanism for Coreceptor Selectivity.
Structure, 11, 2003
1NQT
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BU of 1nqt by Molmil
Crystal structure of bovine Glutamate dehydrogenase-ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1
著者Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
登録日2003-01-23
公開日2003-05-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
1O5D
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BU of 1o5d by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1O5F
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BU of 1o5f by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Serine protease hepsin
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1NR1
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BU of 1nr1 by Molmil
Crystal structure of the R463A mutant of human Glutamate dehydrogenase
分子名称: Glutamate dehydrogenase 1
著者Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
登録日2003-01-23
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
1QNZ
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BU of 1qnz by Molmil
NMR structure of the 0.5b anti-HIV antibody complex with the gp120 V3 peptide
分子名称: 0.5B ANTIBODY (HEAVY CHAIN), 0.5B ANTIBODY (LIGHT CHAIN), GP120
著者Tugarinov, V, Zvi, A, Levy, R, Hayek, Y, Matsushita, S, Anglister, J.
登録日1999-10-26
公開日2000-06-03
最終更新日2018-01-17
実験手法SOLUTION NMR
主引用文献NMR Structure of an Anti-Gp120 Antibody Complex with a V3 Peptide Reveals a Surface Important for Co-Receptor Binding
Structure, 8, 2000
1NR7
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BU of 1nr7 by Molmil
Crystal structure of apo bovine glutamate dehydrogenase
分子名称: Glutamate dehydrogenase 1
著者Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
登録日2003-01-23
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
7LH8
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BU of 7lh8 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131
分子名称: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Schonbrunn, E, Chan, A.
登録日2021-01-21
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
著者Miao, Y, Jude, K.M, Garcia, K.C.
登録日2021-06-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R85
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BU of 7r85 by Molmil
Structure of mouse Bai1 (ADGRB1) TSR3 domain
分子名称: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
著者Miao, Y, Jude, K.M, Garcia, K.C.
登録日2021-06-26
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R84
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Structure of mouse BAI1 (ADGRB1) TSR3 domain in P21 space group
分子名称: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
著者Miao, Y, Jude, K.M, Garcia, K.C.
登録日2021-06-26
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.336 Å)
主引用文献RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
1WAO
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BU of 1wao by Molmil
PP5 structure
分子名称: MANGANESE (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE 5
著者Barford, D.
登録日2004-10-27
公開日2005-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Basis for Tpr Domain-Mediated Regulation of Protein Phosphatase 5
Embo J., 24, 2005
1M2J
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BU of 1m2j by Molmil
Sir2 homologue H80N mutant-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2N
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Sir2 homologues (D102G/F159A/R170A) mutant-2'-O-acetyl ADP ribose complex
分子名称: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2003
1M2H
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Sir2 homologue S24A mutant-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002

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