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4H1Q
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BU of 4h1q by Molmil
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
分子名称: CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-11
公開日2013-04-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-05
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4H30
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BU of 4h30 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-09-13
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
2ASK
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BU of 2ask by Molmil
Structure of human Artemin
分子名称: SULFATE ION, artemin
著者Silvian, L, Jin, P, Carmillo, P, Boriack-Sjodin, P.A, Pelletier, C, Rushe, M, Gong, B.J, Sah, D, Pepinsky, B, Rossomando, A.
登録日2005-08-23
公開日2006-06-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Artemin crystal structure reveals insights into heparan sulfate binding.
Biochemistry, 45, 2006
2BOC
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BU of 2boc by Molmil
Potassium channel KcsA-Fab complex in thallium with tetraethylarsonium (TEAs)
分子名称: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
著者Lenaeus, M.J, Vamvouka, M, Focia, P.J, Gross, A.
登録日2005-04-09
公開日2005-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural Basis of Tea Blockade in a Model Potassium Channel
Nat.Struct.Mol.Biol., 12, 2005
2BOB
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BU of 2bob by Molmil
Potassium channel KcsA-Fab complex in thallium with tetrabutylammonium (TBA)
分子名称: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
著者Lenaeus, M.J, Vamvouka, M, Focia, P.J, Gross, A.
登録日2005-04-09
公開日2005-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Basis of Tea Blockade in a Model Potassium Channel
Nat.Struct.Mol.Biol., 12, 2005
2JK5
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BU of 2jk5 by Molmil
Potassium Channel KcsA in complex with Tetrabutylammonium in high K
分子名称: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, ...
著者Lenaeus, M.J, Focia, P.J, Wagner, T, Gross, A.
登録日2008-08-15
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
7OVY
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BU of 7ovy by Molmil
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ...
著者Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A.
登録日2021-06-15
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6P2D
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BU of 6p2d by Molmil
Structure of mouse ketohexokinase-C in complex with fructose and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, NITRATE ION, ...
著者Gasper, W.C, Allen, K.N, Tolan, D.R.
登録日2019-05-21
公開日2020-06-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Michaelis-like complex of mouse ketohexokinase isoform C
ACTA CRYSTALLOGR.,SECT.D, 2024
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
分子名称: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
著者Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
登録日2016-03-03
公開日2016-05-18
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
1AOZ
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BU of 1aoz by Molmil
REFINED CRYSTAL STRUCTURE OF ASCORBATE OXIDASE AT 1.9 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
著者Messerschmidt, A, Ladenstein, R, Huber, R.
登録日1992-01-08
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Refined crystal structure of ascorbate oxidase at 1.9 A resolution.
J.Mol.Biol., 224, 1992
1ASO
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BU of 1aso by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
著者Messerschmidt, A, Luecke, H, Huber, R.
登録日1992-11-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
5I6J
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BU of 5i6j by Molmil
Crystal Structure of SRGAP2 F-BARx
分子名称: SLIT-ROBO Rho GTPase-activating protein 2
著者Sporny, M, Guez-Haddad, J, Isupov, M.N, Opatowsky, Y.
登録日2016-02-16
公開日2017-03-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural History of Human SRGAP2 Proteins.
Mol. Biol. Evol., 34, 2017
5HJR
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BU of 5hjr by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate
分子名称: 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-01-13
公開日2016-07-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
6T5I
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BU of 6t5i by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2
分子名称: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E.
登録日2019-10-16
公開日2021-10-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
7T7T
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BU of 7t7t by Molmil
Structure of TSK/BRU1 bound to histone H3.1
分子名称: Histone H3.1, Protein TONSOKU
著者Davarinejad, H, Couture, J.F.
登録日2021-12-15
公開日2022-03-30
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献The histone H3.1 variant regulates TONSOKU-mediated DNA repair during replication.
Science, 375, 2022
6UL7
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BU of 6ul7 by Molmil
Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
分子名称: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Ketohexokinase, NITRATE ION, ...
著者Gasper, W.C, Gardner, S, Allen, K.N, Tolan, D.R.
登録日2019-10-07
公開日2021-04-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
To be Published
3GS0
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BU of 3gs0 by Molmil
Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16)
分子名称: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
3GS7
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BU of 3gs7 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13)
分子名称: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GS4
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BU of 3gs4 by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15)
分子名称: 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
1ASQ
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BU of 1asq by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ...
著者Messerschmidt, A, Luecke, H, Huber, R.
登録日1992-11-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
1ASP
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BU of 1asp by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
著者Messerschmidt, A, Luecke, H, Huber, R.
登録日1992-11-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
1B44
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BU of 1b44 by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
分子名称: PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN)
著者Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G.
登録日1999-01-04
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
5IEG
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BU of 5ieg by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-02-25
公開日2016-07-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016

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