5XC3
 
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5XC5
 | | Crystal structure of Acanthamoeba polyphaga mimivirus Rab GTPase in complex with GTP | | Descriptor: | ACETATE ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ku, B, You, J.A, Kim, S.J. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Crystal structures of two forms of the Acanthamoeba polyphaga mimivirus Rab GTPase
Arch. Virol., 162, 2017
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1SHT
 | | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor | | Descriptor: | ACETATE ION, Anthrax toxin receptor 2, MAGNESIUM ION | | Authors: | Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J. | | Deposit date: | 2004-02-26 | | Release date: | 2004-04-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1SHU
 | | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor | | Descriptor: | Anthrax toxin receptor 2, MAGNESIUM ION | | Authors: | Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J. | | Deposit date: | 2004-02-26 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor
Proc.Natl.Acad.Sci.USA, 101, 2004
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2REL
 | | SOLUTION STRUCTURE OF R-ELAFIN, A SPECIFIC INHIBITOR OF ELASTASE, NMR, 11 STRUCTURES | | Descriptor: | R-ELAFIN | | Authors: | Francart, C, Dauchez, M, Alix, A.J.P, Lippens, G. | | Deposit date: | 1997-04-01 | | Release date: | 1997-07-07 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of R-elafin, a specific inhibitor of elastase.
J.Mol.Biol., 268, 1997
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5HI3
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5HI5
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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5HI4
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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5WTW
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4L0L
 | | Crystal structure of P.aeruginosa PBP3 in complex with compound 4 | | Descriptor: | (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3 | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-05-31 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
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4FSF
 | | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | | Descriptor: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | | Authors: | Han, S. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections.
Bioorg.Med.Chem.Lett., 22, 2012
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4OON
 | | Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | | Descriptor: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | | Authors: | Han, S, Caspers, N, Knafels, J.D. | | Deposit date: | 2014-02-03 | | Release date: | 2014-05-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
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4OOM
 | | Crystal structure of PBP3 in complex with BAL30072 ((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide) | | Descriptor: | (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide, Cell division protein FtsI [Peptidoglycan synthetase] | | Authors: | Han, S, Caspers, N, Knafels, J.D. | | Deposit date: | 2014-02-03 | | Release date: | 2014-05-07 | | Last modified: | 2014-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
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4OOL
 | | Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid) | | Descriptor: | (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase] | | Authors: | Han, S, Caspers, N, Knafels, J.D. | | Deposit date: | 2014-02-03 | | Release date: | 2014-05-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
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2PQJ
 | | Crystal structure of active ribosome inactivating protein from maize (b-32), complex with adenine | | Descriptor: | ADENINE, Ribosome-inactivating protein 3 | | Authors: | Mak, A.N.S, Au, S.W.N, Cha, S.S, Young, J.A, Wong, K.B, Shaw, P.C. | | Deposit date: | 2007-05-02 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
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2PQI
 | | Crystal structure of active ribosome inactivating protein from maize (b-32) | | Descriptor: | Ribosome-inactivating protein 3 | | Authors: | Mak, A.N.S, Wong, Y.T, Young, J.A, Cha, S.S, Sze, K.H, Au, S.W.N, Wong, K.B, Shaw, P.C. | | Deposit date: | 2007-05-02 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
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2PQG
 | | Crystal structure of inactive ribosome inactivating protein from maize (b-32) | | Descriptor: | Ribosome-inactivating protein 3 | | Authors: | Mak, A.N.S, Wong, Y.T, Young, J.A, Cha, S.S, Sze, K.H, Au, S.W.N, Wong, K.B, Shaw, P.C. | | Deposit date: | 2007-05-02 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
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5T2P
 | | Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | | Descriptor: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-08-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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8KHU
 | | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
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8I71
 | | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | | Descriptor: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-01-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
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