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6TEU
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BU of 6teu by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
登録日2019-11-12
公開日2021-05-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TEZ
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BU of 6tez by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucuronic Acid
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
登録日2019-11-12
公開日2021-05-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TEX
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BU of 6tex by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucose
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
登録日2019-11-12
公開日2021-05-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
1TE1
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BU of 1te1 by Molmil
Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ...
著者Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A.
登録日2004-05-24
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES.
J.Biol.Chem., 279, 2004
4YE0
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BU of 4ye0 by Molmil
Stress-induced protein 1 truncation mutant (43 - 140) from Caenorhabditis elegans
分子名称: SULFATE ION, Stress-induced protein 1
著者Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
登録日2015-02-23
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
8OSH
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BU of 8osh by Molmil
AAA+ motor subunit ChlI of magnesium chelatase, pentamer spring-washer-like conformation
分子名称: Magnesium-chelatase subunit ChlI
著者Shvarev, D, Moeller, A.
登録日2023-04-18
公開日2023-09-06
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Conformational variability of cyanobacterial ChlI, the AAA+ motor of magnesium chelatase involved in chlorophyll biosynthesis.
Mbio, 14, 2023
5XDQ
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BU of 5xdq by Molmil
Bovine heart cytochrome c oxidase in the fully oxidized state with pH 7.3 at 1.77 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-29
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of bovine cytochrome c oxidase crystallized at a neutral pH using a fluorinated detergent.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4Y3D
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BU of 4y3d by Molmil
Endothiapepsin in complex with fragment 321
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Fu, K, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Crystallographic Fragment Screening of an Entrire Library
To Be Published
5XDX
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BU of 5xdx by Molmil
Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-30
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8OV0
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BU of 8ov0 by Molmil
MUC5AC CysD7 amino acids 3518-3626
分子名称: CALCIUM ION, CHLORIDE ION, Mucin-5AC
著者Khmelnitsky, L, Milo, A, Dym, O, Fass, D.
登録日2023-04-25
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diversity of CysD domains in gel-forming mucins.
Febs J., 290, 2023
4Y4U
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BU of 4y4u by Molmil
Endothiapepsin in complex with fragment 14
分子名称: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4Z
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BU of 4y4z by Molmil
Endothiapepsin in complex with fragment 73
分子名称: (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5XIO
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BU of 5xio by Molmil
Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
4Y58
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BU of 4y58 by Molmil
Endothiapepsin in complex with fragment 260
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
to be published
5XIJ
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BU of 5xij by Molmil
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 9
分子名称: 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
4Y5K
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BU of 4y5k by Molmil
Endothiapepsin in complex with fragment 274
分子名称: (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
to be published
1T1V
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BU of 1t1v by Molmil
Crystal Structure of the Glutaredoxin-like Protein SH3BGRL3 at 1.6 A resolution
分子名称: ACETIC ACID, GLYCEROL, SH3 domain-binding glutamic acid-rich protein-like 3, ...
著者Nardini, M, Mazzocco, M, Massaro, M, Maffei, M, Vergano, A, Donadini, A, Scartezzini, M, Bolognesi, M.
登録日2004-04-19
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the glutaredoxin-like protein SH3BGRL3 at 1.6 A resolution
Biochem.Biophys.Res.Commun., 318, 2004
8P4B
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BU of 8p4b by Molmil
Structural insights into human co-transcriptional capping - structure 2
分子名称: DNA (35-MER), DNA (5'-D(P*AP*GP*CP*GP*GP*CP*GP*GP*AP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*AP*GP*CP*TP*G)-3'), DNA-directed RNA polymerase II subunit E, ...
著者Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
登録日2023-05-20
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
5XIH
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BU of 5xih by Molmil
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5
分子名称: 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
6TUL
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BU of 6tul by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021177
分子名称: D-MALATE, Fab C0021177 heavy chain (IgG1), Fab C0021177 light chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2020-01-07
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
4YD5
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BU of 4yd5 by Molmil
Endothiapepsin in complex with fragment 236
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.209 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8P4C
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BU of 8p4c by Molmil
Structural insights into human co-transcriptional capping - structure 3
分子名称: DNA (32-MER), DNA (41-MER), DNA-directed RNA polymerase II subunit E, ...
著者Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
登録日2023-05-20
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
分子名称: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
著者Griessner, A, Brandstetter, H.
登録日2013-05-30
公開日2013-12-04
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
8P4A
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BU of 8p4a by Molmil
Structural insights into human co-transcriptional capping - structure 1
分子名称: DNA (29-MER), DNA (38-MER), DNA-directed RNA polymerase II subunit E, ...
著者Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
登録日2023-05-20
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
5XPL
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BU of 5xpl by Molmil
Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
分子名称: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor
著者Kato, A, Itoh, T, Yamamoto, K.
登録日2017-06-03
公開日2018-06-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017

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