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1GMY
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Cathepsin B complexed with dipeptidyl nitrile inhibitor
分子名称: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
著者Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
登録日2001-09-25
公開日2002-09-19
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
6FJL
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BU of 6fjl by Molmil
Structure of IbpS from Dickeya dadantii
分子名称: ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ...
著者Gueguen-Chaignon, V, Condemine, G, Terradot, L.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.70000041 Å)
主引用文献A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Nat Commun, 10, 2019
2OA5
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Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B.
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2
著者Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-14
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68.
J.Biol.Chem., 282, 2007
1GJT
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BU of 1gjt by Molmil
Solution structure of the Albumin binding domain of Streptococcal Protein G
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN G
著者Johansson, M.U, Frick, I.M, Nilsson, H, Kraulis, P.J, Hober, S, Jonasson, P, Nygren, A.P, Uhlen, M, Bjorck, L, Drakenberg, T, Forsen, S, Wikstrom, M.
登録日2001-08-02
公開日2001-08-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure, Specificity, and Mode of Interaction for Bacterial Albumin-Binding Modules
J.Biol.Chem., 277, 2002
2NW7
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BU of 2nw7 by Molmil
Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1GJS
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Solution structure of the Albumin binding domain of Streptococcal Protein G
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN G
著者Johansson, M.U, Frick, I.M, Nilsson, H, Kraulis, P.J, Hober, S, Jonasson, P, Nygren, A.P, Uhlen, M, Bjorck, L, Drakenberg, T, Forsen, S, Wikstrom, M.
登録日2001-08-02
公開日2001-08-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure, Specificity, and Mode of Interaction for Bacterial Albumin-Binding Modules
J.Biol.Chem., 277, 2002
3QAE
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BU of 3qae by Molmil
3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ...
著者Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
登録日2011-01-10
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
To be Published
3MX0
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BU of 3mx0 by Molmil
Crystal Structure of EphA2 ectodomain in complex with ephrin-A5
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 2, ...
著者Himanen, J.P, Yermekbayeva, L, Janes, P.W, Walker, J.R, Xu, K, Atapattu, L, Rajashankar, K.R, Mensinga, A, Lackmann, M, Nikolov, D.B, Dhe-Paganon, S.
登録日2010-05-06
公開日2010-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XN2
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BU of 2xn2 by Molmil
Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM with galactose
分子名称: ALPHA-GALACTOSIDASE, GLYCEROL, IMIDAZOLE, ...
著者Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B.
登録日2010-07-30
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
1GIW
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BU of 1giw by Molmil
SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CYTOCHROME C, HEME C
著者Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P.
登録日1998-06-17
公開日1998-12-09
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of reduced horse heart cytochrome c.
J.Biol.Inorg.Chem., 4, 1999
1GKT
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BU of 1gkt by Molmil
Neutron Laue diffraction structure of endothiapepsin complexed with transition state analogue inhibitor H261
分子名称: ENDOTHIAPEPSIN, INHIBITOR, H261
著者Coates, L, Erskine, P.T, Wood, S.P, Myles, D.A.A, Cooper, J.B.
登録日2001-08-20
公開日2001-11-20
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献A Neutron Laue Diffraction Study of Endothiapepsin: Implications for the Aspartic Proteinase Mechanism
Biochemistry, 40, 2001
1GJP
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SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH 4-OXOSEBACIC ACID
分子名称: 4-OXODECANEDIOIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION
著者Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R.
登録日2001-08-01
公開日2001-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001
3N0T
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BU of 3n0t by Molmil
Human dipeptidil peptidase DPP7 complexed with inhibitor GSK237826A
分子名称: (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine, Dipeptidyl peptidase 2
著者Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Crombet, L, Cossar, D, Pagannon, S, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hassell, A, Shewchuk, L, Haffner, C, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2010-05-14
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Human dipeptidyl peptidase DPP7
To be Published
4JJY
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BU of 4jjy by Molmil
Alix V domain
分子名称: Programmed cell death 6-interacting protein
著者Pashkova, N, Gakhar, L, Yu, L, Piper, R.C.
登録日2013-03-08
公開日2013-06-19
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (6.503 Å)
主引用文献The yeast alix homolog bro1 functions as a ubiquitin receptor for protein sorting into multivesicular endosomes.
Dev.Cell, 25, 2013
5XPV
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BU of 5xpv by Molmil
Structure of the V domain of amphioxus IgVJ-C2
分子名称: amphioxus IgVJ-C2
著者Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
登録日2017-06-05
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
1GCB
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GAL6, YEAST BLEOMYCIN HYDROLASE DNA-BINDING PROTEASE (THIOL)
分子名称: GAL6 HG (EMTS) DERIVATIVE, GLYCEROL, MERCURY (II) ION, ...
著者Joshua-Tor, L, Xu, H.E, Johnston, S.A, Rees, D.C.
登録日1995-07-18
公開日1995-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a conserved protease that binds DNA: the bleomycin hydrolase, Gal6.
Science, 269, 1995
1FUQ
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FUMARASE WITH BOUND 3-TRIMETHYLSILYLSUCCINIC ACID
分子名称: 3-TRIMETHYLSILYLSUCCINIC ACID, CITRIC ACID, FUMARASE C
著者Weaver, T, Banaszak, L.
登録日1996-08-29
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies of the catalytic and a second site in fumarase C from Escherichia coli.
Biochemistry, 35, 1996
6G30
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Crystal structure of the p97 D2 domain in a helical split-washer conformation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Stach, L, Morgan, R.M.L, Freemont, P.S.
登録日2018-03-23
公開日2019-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.418 Å)
主引用文献Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
3N2B
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1.8 Angstrom Resolution Crystal Structure of Diaminopimelate Decarboxylase (lysA) from Vibrio cholerae.
分子名称: CHLORIDE ION, Diaminopimelate decarboxylase
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-17
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom Resolution Crystal Structure of Diaminopimelate Decarboxylase (lysA) from Vibrio cholerae.
To be Published
3N3W
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2.2 Angstrom Resolution Crystal Structure of Nuclease Domain of Ribonuclase III (rnc) from Campylobacter jejuni
分子名称: Ribonuclease III
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-20
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献2.2 Angstrom Resolution Crystal Structure of Nuclease Domain of Ribonuclase III (rnc) from Campylobacter jejuni
TO BE PUBLISHED
7GDP
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-8502cac5-2 (Mpro-x11186)
分子名称: (3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GB1
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with STE-KUL-2e0d2e88-2 (Mpro-x10150)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GE3
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714a760b-3 (Mpro-x11317)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBG
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-1 (Mpro-x10329)
分子名称: (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GE7
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ADA-UCB-6c2cb422-3 (Mpro-x11354)
分子名称: 2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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