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5IEF
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BU of 5ief by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-butyl-1-deoxynojirimycin
Descriptor: (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IEE
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BU of 5iee by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with 1-deoxynojirimycin
Descriptor: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IED
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BU of 5ied by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with castanospermine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
1GP1
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BU of 1gp1 by Molmil
THE REFINED STRUCTURE OF THE SELENOENZYME GLUTATHIONE PEROXIDASE AT 0.2-NM RESOLUTION
Descriptor: GLUTATHIONE PEROXIDASE
Authors:Epp, O, Ladenstein, R.
Deposit date:1985-06-11
Release date:1985-11-08
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:The refined structure of the selenoenzyme glutathione peroxidase at 0.2-nm resolution.
Eur.J.Biochem., 133, 1983
5H9O
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BU of 5h9o by Molmil
Complex of Murine endoplasmic reticulum alpha-glucosidase II with D-Glucose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2015-12-29
Release date:2016-07-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HJO
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BU of 5hjo by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose-(1-3)-D-glucal, ACETATE ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-01-13
Release date:2016-07-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HJR
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BU of 5hjr by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate
Descriptor: 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-01-13
Release date:2016-07-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IEG
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BU of 5ieg by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
1LTR
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BU of 1ltr by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Descriptor: HEAT-LABILE ENTEROTOXIN, SULFATE ION
Authors:Matkovic-Calogovic, D, Loreggian, A, Palu, G, Zanotti, G.
Deposit date:1998-07-31
Release date:1999-02-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.04 Å)
Cite: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
4KV0
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BU of 4kv0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 22, 2014
5GDS
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BU of 5gds by Molmil
HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V
Authors:De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
Deposit date:1997-07-17
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
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)
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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)
Descriptor: 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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)
Descriptor: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-12
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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)
Descriptor: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
5CJF
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BU of 5cjf by Molmil
The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Descriptor: 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2015-07-14
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
J.Med.Chem., 58, 2015
4ABK
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BU of 4abk by Molmil
HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 IN COMPLEX WITH ADENOSINE- 5-DIPHOSPHORIBOSE
Descriptor: POLY [ADP-RIBOSE] POLYMERASE 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H.
Deposit date:2011-12-08
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
4ABL
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BU of 4abl by Molmil
HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3
Descriptor: BROMIDE ION, POLY [ADP-RIBOSE] POLYMERASE 14
Authors:Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H.
Deposit date:2011-12-08
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
3V2B
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BU of 3v2b by Molmil
Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose
Descriptor: Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-12-12
Release date:2011-12-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
3Q6Z
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BU of 3q6z by Molmil
HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-04
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
3Q71
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BU of 3q71 by Molmil
Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose
Descriptor: Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-04
Release date:2011-01-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
3SQO
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BU of 3sqo by Molmil
PCSK9 J16 Fab complex
Descriptor: J16 Heavy chain, J16 Light chain, PCSK9 prodomain, ...
Authors:Strop, P.
Deposit date:2011-07-05
Release date:2012-05-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Proprotein convertase substilisin/kexin type 9 antagonism reduces low-density lipoprotein cholesterol in statin-treated hypercholesterolemic nonhuman primates.
J.Pharmacol.Exp.Ther., 340, 2012
2OUL
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BU of 2oul by Molmil
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Descriptor: Chagasin, Falcipain 2
Authors:Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H.
Deposit date:2007-02-11
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
4D86
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BU of 4d86 by Molmil
Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2012-01-10
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022

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數據於2024-07-03公開中

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