3MBL
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3OE0
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![BU of 3oe0 by Molmil](/molmil-images/mine/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
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![BU of 3oe9 by Molmil](/molmil-images/mine/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
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![BU of 3odu by Molmil](/molmil-images/mine/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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3OE6
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![BU of 3oe6 by Molmil](/molmil-images/mine/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
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![BU of 3oe8 by Molmil](/molmil-images/mine/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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2SSP
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![BU of 2ssp by Molmil](/molmil-images/mine/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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1UGI
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![BU of 1ugi by Molmil](/molmil-images/mine/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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1SSP
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![BU of 1ssp by Molmil](/molmil-images/mine/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
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![BU of 1bix by Molmil](/molmil-images/mine/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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2O8Y
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![BU of 2o8y by Molmil](/molmil-images/mine/2o8y) | Apo IRAK4 Kinase Domain | Descriptor: | Interleukin-1 receptor-associated kinase 4 | Authors: | Boriack-Sjodin, P.A, Mol, C. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the apo and inhibited IRAK4 kinase domain To be Published
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4LGE
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![BU of 4lge by Molmil](/molmil-images/mine/4lge) | Crystal structure of clAP1 BIR3 bound to T3261256 | Descriptor: | (4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Dougan, D.R. | Deposit date: | 2013-06-27 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. Bioorg.Med.Chem., 21, 2013
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1LQJ
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![BU of 1lqj by Molmil](/molmil-images/mine/1lqj) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE | Descriptor: | URACIL-DNA GLYCOSYLASE | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | Deposit date: | 2002-05-10 | Release date: | 2002-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG. Acta Crystallogr.,Sect.D, 58, 2002
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1LQG
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![BU of 1lqg by Molmil](/molmil-images/mine/1lqg) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M. | Deposit date: | 2002-05-10 | Release date: | 2002-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG. Acta Crystallogr.,Sect.D, 58, 2002
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1LQM
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![BU of 1lqm by Molmil](/molmil-images/mine/1lqm) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | Deposit date: | 2002-05-10 | Release date: | 2002-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG. Acta Crystallogr.,Sect.D, 58, 2002
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4L6S
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![BU of 4l6s by Molmil](/molmil-images/mine/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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4HNO
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![BU of 4hno by Molmil](/molmil-images/mine/4hno) | High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A. | Deposit date: | 2012-10-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.9194 Å) | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes. J.Biol.Chem., 288, 2013
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1MUD
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![BU of 1mud by Molmil](/molmil-images/mine/1mud) | CATALYTIC DOMAIN OF MUTY FROM ESCHERICHIA COLI, D138N MUTANT COMPLEXED TO ADENINE | Descriptor: | ADENINE, Adenine DNA glycosylase, GLYCEROL, ... | Authors: | Guan, Y, Tainer, J.A. | Deposit date: | 1998-08-20 | Release date: | 1999-09-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | MutY catalytic core, mutant and bound adenine structures define specificity for DNA repair enzyme superfamily. Nat.Struct.Biol., 5, 1998
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1MUN
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1MUY
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![BU of 1muy by Molmil](/molmil-images/mine/1muy) | CATALYTIC DOMAIN OF MUTY FROM ESCHERICHIA COLI | Descriptor: | ADENINE GLYCOSYLASE, GLYCEROL, IMIDAZOLE, ... | Authors: | Guan, Y, Tainer, J.A. | Deposit date: | 1998-08-20 | Release date: | 1999-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | MutY catalytic core, mutant and bound adenine structures define specificity for DNA repair enzyme superfamily. Nat.Struct.Biol., 5, 1998
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1MQ7
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![BU of 1mq7 by Molmil](/molmil-images/mine/1mq7) | CRYSTAL STRUCTURE OF DUTPASE FROM MYCOBACTERIUM TUBERCULOSIS (RV2697C) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | Authors: | Sawaya, M.R, Chan, S, Segelke, B.W, Lekin, T, Heike, K, Cho, U.S, Naranjo, C, Perry, L.J, Yeates, T.O, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-09-13 | Release date: | 2002-10-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism. J.Mol.Biol., 341, 2004
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6NEG
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![BU of 6neg by Molmil](/molmil-images/mine/6neg) | |
6NEH
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![BU of 6neh by Molmil](/molmil-images/mine/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
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![BU of 6nej by Molmil](/molmil-images/mine/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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6NEI
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![BU of 6nei by Molmil](/molmil-images/mine/6nei) | |