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1GYA
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BU of 1gya by Molmil
N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2
Descriptor: HUMAN CD2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wyss, D.F, Choi, J.S, Wagner, G.
Deposit date:1995-05-26
Release date:1996-11-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Conformation and function of the N-linked glycan in the adhesion domain of human CD2.
Science, 269, 1995
1CDB
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BU of 1cdb by Molmil
STRUCTURE OF THE GLYCOSYLATED ADHESION DOMAIN OF HUMAN T LYMPHOCYTE GLYCOPROTEIN CD2
Descriptor: CD2
Authors:Wyss, D.F, Withka, J.M, Recny, M.A, Wagner, G.
Deposit date:1993-09-15
Release date:1994-01-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structure of the glycosylated adhesion domain of human T lymphocyte glycoprotein CD2.
Structure, 1, 1993
1BWM
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BU of 1bwm by Molmil
A SINGLE-CHAIN T CELL RECEPTOR
Descriptor: PROTEIN (ALPHA-BETA T CELL RECEPTOR (TCR) (D10))
Authors:Hare, B.J, Wyss, D.F, Reinherz, E.L, Wagner, G.
Deposit date:1998-09-23
Release date:1999-07-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure, specificity and CDR mobility of a class II restricted single-chain T-cell receptor.
Nat.Struct.Biol., 6, 1999
1JR6
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BU of 1jr6 by Molmil
Solution Structure of an Engineered Arginine-rich Subdomain 2 of the Hepatitis C Virus NS3 RNA Helicase
Descriptor: Helicase NS3
Authors:Liu, D, Wyss, D.F, Wang, Y.S, Gesell, J.J.
Deposit date:2001-08-10
Release date:2002-08-10
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase.
J.Mol.Biol., 314, 2001
1ONB
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BU of 1onb by Molmil
Solution structure of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
Descriptor: helicase NS3
Authors:Liu, D, Wang, Y.S, Gesell, J.J, Wyss, D.F.
Deposit date:2003-02-27
Release date:2003-03-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
J.Mol.Biol., 314, 2001
1OVQ
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BU of 1ovq by Molmil
Solution structure of the hypothetical protein YqgF from Escherichia coli
Descriptor: Hypothetical protein yqgF
Authors:Liu, D, Wang, Y.S, Wyss, D.F.
Deposit date:2003-03-27
Release date:2003-11-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the hypothetical protein YqgF from Escherichia coli reveals an RNAse H fold.
J.Biomol.NMR, 27, 2003
1RQ8
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BU of 1rq8 by Molmil
Solution structure of the hypothetical protein SAV1595 from Staphylococcus aureus, a putative RNA binding protein
Descriptor: conserved hypothetical protein
Authors:Liu, D, Wyss, D.F.
Deposit date:2003-12-04
Release date:2004-07-06
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of the Hypothetical Protein SAV1595 from Staphylococcus Aureus, a Putative RNA Binding Protein.
J.Biomol.Nmr, 29, 2004
3L5F
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BU of 3l5f by Molmil
Structure of BACE Bound to SCH736201
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5C
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BU of 3l5c by Molmil
Structure of BACE Bound to SCH723871
Descriptor: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
7UP1
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BU of 7up1 by Molmil
NDM1-inhibitor co-structure
Descriptor: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ...
Authors:Scapin, G, Fischmann, T.O.
Deposit date:2022-04-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UP3
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BU of 7up3 by Molmil
NDM1-inhibitor co-structure
Descriptor: (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ...
Authors:Scapin, G, Fischmann, T.O.
Deposit date:2022-04-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UOX
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BU of 7uox by Molmil
NDM1-inhibitor co-structure
Descriptor: (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ...
Authors:Scapin, G, Fischmann, T.O.
Deposit date:2022-04-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UP2
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BU of 7up2 by Molmil
NDM1-inhibitor co-structure
Descriptor: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Scapin, G, Fischmann, T.O.
Deposit date:2022-04-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UOY
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BU of 7uoy by Molmil
NDM1-inhibitor co-structure
Descriptor: (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ...
Authors:Scapin, G, Fischmann, T.O.
Deposit date:2022-04-14
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
3KMY
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BU of 3kmy by Molmil
Structure of BACE bound to SCH12472
Descriptor: 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3L59
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BU of 3l59 by Molmil
Structure of BACE Bound to SCH710413
Descriptor: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3KMX
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BU of 3kmx by Molmil
Structure of BACE bound to SCH346572
Descriptor: 4-butoxy-3-chlorobenzyl imidothiocarbamate, Beta-secretase 1
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3KN0
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BU of 3kn0 by Molmil
Structure of BACE bound to SCH708236
Descriptor: 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3L58
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BU of 3l58 by Molmil
Structure of BACE Bound to SCH589432
Descriptor: Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5B
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BU of 3l5b by Molmil
Structure of BACE Bound to SCH713601
Descriptor: (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
Descriptor: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5D
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BU of 3l5d by Molmil
Structure of BACE Bound to SCH723873
Descriptor: 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
6UKM
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BU of 6ukm by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
Descriptor: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-05
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKU
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BU of 6uku by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
Descriptor: 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UL0
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BU of 6ul0 by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
Descriptor: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020

 

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