6NEI
 
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6NEG
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6NEH
 | | N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Valentic, T.R, Smolke, C.D, Payne, J.T. | | Deposit date: | 2018-12-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
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6NEJ
 | | scoulerine 9-O-methyltransferase from Thalictrum flavum complexed (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and with S-ADENOSYL-L-HOMOCYSTEINE | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Valentic, T.R, Smolke, C.D, Payne, J.T. | | Deposit date: | 2018-12-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
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4L6S
 | | PARP complexed with benzo[1,4]oxazin-3-one inhibitor | | Descriptor: | (2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one, Poly [ADP-ribose] polymerase 1 | | Authors: | Dougan, D.R, Mol, C.D, Lawson, J.D. | | Deposit date: | 2013-06-12 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors
Bioorg.Med.Chem.Lett., 23, 2013
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2SSP
 | | LEUCINE-272-ALANINE URACIL-DNA GLYCOSYLASE BOUND TO ABASIC SITE-CONTAINING DNA | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*(AAB)P*AP*TP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE) | | Authors: | Parikh, S.S, Mol, C.D, Slupphaug, G, Bharati, S, Krokan, H.E, Tainer, J.A. | | Deposit date: | 1999-04-28 | | Release date: | 1999-05-06 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA.
EMBO J., 17, 1998
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3MBL
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3OE0
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15 | | Descriptor: | C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OE9
 | | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3ODU
 | | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-11 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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4HY4
 | | Crystal structure of cIAP1 BIR3 bound to T3170284 | | Descriptor: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Dougan, D.R, Mol, C.D, Snell, G.P. | | Deposit date: | 2012-11-12 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
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1UGI
 | | URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | | Descriptor: | IMIDAZOLE, SULFATE ION, URACIL-DNA GLYCOSYLASE INHIBITOR | | Authors: | Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A. | | Deposit date: | 1998-11-04 | | Release date: | 1999-03-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
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3OE6
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OE8
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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1SSP
 | | WILD-TYPE URACIL-DNA GLYCOSYLASE BOUND TO URACIL-CONTAINING DNA | | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*(D1P)P*AP*TP*CP*TP*T)-3', URACIL, ... | | Authors: | Parikh, S.S, Mol, C.D, Slupphaug, G, Bharati, S, Krokan, H.E, Tainer, J.A. | | Deposit date: | 1999-04-28 | | Release date: | 1999-05-06 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA.
EMBO J., 17, 1998
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1BIX
 | | THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES | | Descriptor: | AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION | | Authors: | Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S. | | Deposit date: | 1998-06-19 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
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