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1ERQ
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BU of 1erq by Molmil
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
分子名称: 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE
著者Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J.
登録日2000-04-06
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
1ERO
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BU of 1ero by Molmil
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
分子名称: (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE
著者Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J.
登録日2000-04-06
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
4GLI
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BU of 4gli by Molmil
Crystal Structure of Human SMN YG-Dimer
分子名称: Maltose-binding periplasmic protein, Survival motor neuron protein chimera
著者Martin, R.S, Perry, K, Van Duyne, G.D.
登録日2012-08-14
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献The survival motor neuron protein forms soluble glycine zipper oligomers.
Structure, 20, 2012
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
7Z56
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BU of 7z56 by Molmil
Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in its apo form
分子名称: CRISPR-associated protein
著者Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G.
登録日2022-03-08
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
7Z55
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BU of 7z55 by Molmil
Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate
分子名称: ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ...
著者Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G.
登録日2022-03-08
公開日2022-11-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.664 Å)
主引用文献Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
1VSB
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BU of 1vsb by Molmil
SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: SUBTILISIN CARLSBERG, TYPE VIII
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5JY3
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BU of 5jy3 by Molmil
CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927
分子名称: 1,4-BUTANEDIOL, 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol, Oxysterols receptor LXR-beta
著者Muckelbauer, J.K.
登録日2016-05-13
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Highly Potent Liver X Receptor beta Agonists.
ACS Med Chem Lett, 7, 2016
2X9H
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BU of 2x9h by Molmil
CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE
分子名称: 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL, ADP METAVANADATE, MAGNESIUM ION, ...
著者Selvadurai, J, Kirst, J, Knoelker, H.J, Manstein, D.J.
登録日2010-03-19
公開日2011-05-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole
To be Published
5KCI
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BU of 5kci by Molmil
Crystal Structure of HTC1
分子名称: GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ...
著者Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A.
登録日2016-06-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
1HQR
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BU of 1hqr by Molmil
CRYSTAL STRUCTURE OF A SUPERANTIGEN BOUND TO THE HIGH-AFFINITY, ZINC-DEPENDENT SITE ON MHC CLASS II
分子名称: HLA-DR ALPHA CHAIN, HLA-DR BETA CHAIN, MYELIN BASIC PROTEIN, ...
著者Li, Y, Li, H, Dimasi, N, Schlievert, P, Mariuzza, R.
登録日2000-12-19
公開日2001-01-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a superantigen bound to the high-affinity, zinc-dependent site on MHC class II.
Immunity, 14, 2001
8A14
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BU of 8a14 by Molmil
Crystal structure of the cerato-platanin-like protein Cpl1 from Ustilago maydis
分子名称: Cerato-platatanin-like protein 1
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-05-31
公開日2023-05-17
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
8A4O
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BU of 8a4o by Molmil
Crystal structure of the Ustilago hordei effector protein Uvi2
分子名称: Effector protein Uvi2
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-06-13
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
3MJX
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BU of 3mjx by Molmil
Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin
分子名称: (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, ADP METAVANADATE, MAGNESIUM ION, ...
著者Fedorov, R, Baruch, P, Bauer, S, Manstein, D.J.
登録日2010-04-13
公開日2011-04-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The mechanism of pentabromopseudilin inhibition of myosin motor activity.
Nat.Struct.Mol.Biol., 16, 2009
4RG5
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BU of 4rg5 by Molmil
Crystal Structure of S. Pombe SMN YG-Dimer
分子名称: MALONATE ION, Maltose-binding periplasmic protein, Survival Motor Neuron protein chimera, ...
著者Gupta, K, Martin, R.S, Sarachan, K.L, Sharp, B, Van Duyne, G.D.
登録日2014-09-29
公開日2015-07-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oligomeric Properties of Survival Motor NeuronGemin2 Complexes.
J.Biol.Chem., 290, 2015
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
分子名称: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
著者Jakob, C.G.
登録日2021-01-29
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
3FLI
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BU of 3fli by Molmil
Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)
分子名称: 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor
著者Foster, P.G, Stout, T.J.
登録日2008-12-18
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).
J.Med.Chem., 52, 2009
6HX0
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BU of 6hx0 by Molmil
Cell wall binding domain of endolysin from Listeria phage A500.
分子名称: L-alanyl-D-glutamate peptidase
著者Dunne, M, Taylor, N.M.I, Shen, Y, Loessner, M.J, Leiman, P.G.
登録日2018-10-15
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural basis for recognition of bacterial cell wall teichoic acid by pseudo-symmetric SH3b-like repeats of a viral peptidoglycan hydrolase
Chem Sci, 2020
3FXV
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BU of 3fxv by Molmil
Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist
分子名称: 12-meric peptide from Nuclear receptor coactivator 1, 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid, NR1H4 protein
著者Feng, S, Yang, M, He, Y, Chen, L, Zhang, Z, Wang, Z, Hong, D, Richter, H, Benson, G.M, Bleicher, K, Grether, U, Martin, R, Plancher, J.-M, Kuhn, B, Rudolph, M.G.
登録日2009-01-21
公開日2009-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist
Bioorg.Med.Chem.Lett., 19, 2009
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
分子名称: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
著者Nanao, M.
登録日2014-09-10
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
5MG3
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BU of 5mg3 by Molmil
EM fitted model of bacterial holo-translocon
分子名称: Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ...
著者Schaffitzel, C, Botte, M.
登録日2016-11-20
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion.
Sci Rep, 6, 2016
2VGC
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BU of 2vgc by Molmil
GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1VGC
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GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: GAMMA CHYMOTRYPSIN, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3VGC
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GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX
分子名称: GAMMA CHYMOTRYPSIN, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3VSB
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SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-09-25
公開日1998-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998

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