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7SR6
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BU of 7sr6 by Molmil
Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
著者Baldwin, E.T, Nichols, C.
登録日2021-11-08
公開日2022-07-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition.
Proc.Natl.Acad.Sci.USA, 119, 2022
3IL8
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BU of 3il8 by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN 8: SYMBIOSIS OF NMR AND CRYSTALLOGRAPHY
分子名称: INTERLEUKIN-8
著者Baldwin, E.T, Weber, I.T, St Charles, R, Xuan, J.-C, Appella, E, Yamada, M, Matsushima, K, Edwards, B.F.P, Clore, G.M, Gronenborn, A.M, Wlodawer, A.
登録日1990-12-07
公開日1992-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of interleukin 8: symbiosis of NMR and crystallography.
Proc.Natl.Acad.Sci.USA, 88, 1991
1LYB
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BU of 1lyb by Molmil
CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATHEPSIN D, PEPSTATIN, ...
著者Baldwin, E.T, Bhat, T.N, Gulnik, S, Erickson, J.W.
登録日1993-04-22
公開日1994-01-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
1HVS
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BU of 1hvs by Molmil
STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W.
登録日1994-11-17
公開日1995-02-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase.
Nat.Struct.Biol., 2, 1995
1LYA
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BU of 1lya by Molmil
CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATHEPSIN D, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Baldwin, E.T, Bhat, T.N, Gulnik, S, Erickson, J.W.
登録日1993-04-22
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
1LMH
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BU of 1lmh by Molmil
Crystal Structure of S. aureus peptide deformylase
分子名称: PROTEIN (S.aureus peptide deformylase), ZINC ION
著者Baldwin, E.T, Harris, M.S.
登録日2002-05-01
公開日2002-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Type II peptide deformylase from Staphylococcus aureus
J.Biol.Chem., 277, 2002
1IDN
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BU of 1idn by Molmil
MAC-1 I DOMAIN METAL FREE
分子名称: CD11B
著者Baldwin, E.T.
登録日1998-06-10
公開日1998-11-04
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1BHQ
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BU of 1bhq by Molmil
MAC-1 I DOMAIN CADMIUM COMPLEX
分子名称: ACETYL GROUP, CADMIUM ION, CD11B
著者Baldwin, E.T.
登録日1998-06-10
公開日1998-11-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1BHO
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BU of 1bho by Molmil
MAC-1 I DOMAIN MAGNESIUM COMPLEX
分子名称: CD11B, MAGNESIUM ION
著者Baldwin, E.T.
登録日1998-06-10
公開日1998-11-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
2USN
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BU of 2usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803
分子名称: CALCIUM ION, STROMELYSIN-1, ZINC ION, ...
著者Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
登録日1998-06-09
公開日1998-12-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
1HVC
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BU of 1hvc by Molmil
CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Baldwin, E.T, Erickson, J.W.
登録日1994-06-22
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
1USN
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BU of 1usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372
分子名称: 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE, CALCIUM ION, STROMELYSIN-1, ...
著者Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
登録日1998-06-09
公開日1998-12-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
4DYB
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BU of 4dyb by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-883559 Ligand Bound
分子名称: N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide, Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-28
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献To be determined
To be Published
4DYN
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BU of 4dyn by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 Ligand Bound
分子名称: N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide, Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献To be determined
To be Published
4DYA
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BU of 4dya by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885986 Ligand Bound
分子名称: N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide, Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-28
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献To be determined
To be Published
4DYP
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BU of 4dyp by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-831780 Ligand Bound
分子名称: Nucleocapsid protein, [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献To be determined
To be Published
4DYS
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BU of 4dys by Molmil
Crystal Structure of Apo Swine Flu Influenza Nucleoprotein
分子名称: Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献To be determined
To be Published
4DYT
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BU of 4dyt by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V)
分子名称: Nucleocapsid protein
著者Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献To be determined
To be Published
3RO5
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BU of 3ro5 by Molmil
Crystal structure of influenza A virus nucleoprotein with ligand
分子名称: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
著者Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R.
登録日2011-04-25
公開日2011-09-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
1HSK
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BU of 1hsk by Molmil
CRYSTAL STRUCTURE OF S. AUREUS MURB
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE
著者Benson, T.E, Harris, M.S, Choi, G.H, Cialdella, J.I, Herberg, J.T, Martin Jr, J.P, Baldwin, E.T.
登録日2000-12-27
公開日2001-03-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural variation for MurB: X-ray crystal structure of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
Biochemistry, 40, 2001
1HVJ
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BU of 1hvj by Molmil
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVI
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BU of 1hvi by Molmil
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVK
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BU of 1hvk by Molmil
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HVL
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BU of 1hvl by Molmil
INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
8C8J
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BU of 8c8j by Molmil
Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ...
著者Nichols, C.E, Walpole, T.B, Baldwin, E.
登録日2023-01-20
公開日2023-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024

 

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