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1V2W
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Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1ATN
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BU of 1atn by Molmil
Atomic structure of the actin:DNASE I complex
分子名称: ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Kabsch, W, Mannherz, H.G, Suck, D, Pai, E, Holmes, K.C.
登録日1991-03-08
公開日1992-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atomic structure of the actin:DNase I complex.
Nature, 347, 1990
5HDI
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BU of 5hdi by Molmil
Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450
分子名称: Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE
著者Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D.
登録日2016-01-05
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
5DZ5
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BU of 5dz5 by Molmil
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-25
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
7ZFE
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BU of 7zfe by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1
分子名称: Nanobody C1, Omi-32 heavy chain, Omi-32 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFD
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SARS-CoV-2 Omicron RBD in complex with Omi-25 Fab
分子名称: Omi-25 heavy chain, Omi-25 light chain, Spike protein S1
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFF
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BU of 7zff by Molmil
Omi-42 Fab
分子名称: GLYCEROL, Omi-42 Heavy chain, Omi-42 light chain
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF6
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Omi-12 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, GLYCEROL, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFC
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BU of 7zfc by Molmil
SARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
分子名称: Nanobody C1, Omi-18 heavy chain, Omi-18 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF8
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BU of 7zf8 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab
分子名称: COVOX-150 heavy chain, COVOX-150 light chain, Spike protein S1
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFB
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BU of 7zfb by Molmil
SARS-CoV-2 Omicron RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody C1, Omi-18 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF9
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BU of 7zf9 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab (P21)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-150 heavy chain, COVOX-150 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF7
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BU of 7zf7 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF5
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BU of 7zf5 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-12 and Beta-54 Fabs
分子名称: Beta-54 heavy chain, Beta-54 light chain, Omi-12 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (5.32 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF3
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BU of 7zf3 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-3 and EY6A Fabs
分子名称: EY6A heavy chain, EY6A light chain, GLYCEROL, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF4
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BU of 7zf4 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-9 Fab and nanobody F2
分子名称: Nanobody F2, Omi-9 heavy chain, Omi-9 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.18 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFA
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BU of 7zfa by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 Fabs
分子名称: COVOX-150 heavy chain, COVOX-150 light chain, Omi-6 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.24 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
1PPC
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BU of 1ppc by Molmil
GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN
著者Bode, W, Turk, D.
登録日1991-10-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.
Eur.J.Biochem., 193, 1990
1R0Q
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BU of 1r0q by Molmil
Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme
分子名称: 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552
著者Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A.
登録日2003-09-22
公開日2004-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
1QYZ
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BU of 1qyz by Molmil
Characterization of the malformed, recombinant cytochrome rC552
分子名称: 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552
著者Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A.
登録日2003-09-12
公開日2004-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
1DNK
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THE X-RAY STRUCTURE OF THE DNASE I-D(GGTATACC)2 COMPLEX AT 2.3 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'), ...
著者Weston, S.A, Lahm, A, Suck, D.
登録日1992-08-10
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of the DNase I-d(GGTATACC)2 complex at 2.3 A resolution.
J.Mol.Biol., 226, 1992
1D4K
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HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
分子名称: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
著者Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
登録日1999-10-04
公開日2000-10-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1CP7
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AMINOPEPTIDASE FROM STREPTOMYCES GRISEUS
分子名称: AMINOPEPTIDASE, CALCIUM ION, ZINC ION
著者Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G.
登録日1999-06-10
公開日2000-05-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1CSB
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BU of 1csb by Molmil
Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the design of specific epoxysuccinyl inhibitors
分子名称: CATHEPSIN B heavy chain, CATHEPSIN B light chain, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline
著者Turk, D, Bode, W.
登録日1994-12-09
公開日1996-04-03
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors.
Biochemistry, 34, 1995
1E0C
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SULFURTRANSFERASE FROM AZOTOBACTER VINELANDII
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
著者Bordo, D, Deriu, D, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M.
登録日2000-03-23
公開日2000-05-08
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of a Sulfurtransferase from Azotobacter Vinelandii Highlights the Evolutionary Relationship between the Rhodanese and Phosphatase Enzyme Families
J.Mol.Biol., 298, 2000

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