3KHR
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![BU of 3khr by Molmil](/molmil-images/mine/3khr) | Dpo4 post-extension ternary complex with the correct C opposite the 2-aminofluorene-guanine [AF]G lesion | Descriptor: | 2-AMINOFLUORENE, 5'-D(*CP*C*TP*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*CP*(DDG))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-10-30 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4. Nat.Struct.Mol.Biol., 17, 2010
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5U0F
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![BU of 5u0f by Molmil](/molmil-images/mine/5u0f) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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3KSL
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![BU of 3ksl by Molmil](/molmil-images/mine/3ksl) | Structure of FPT bound to DATFP-DH-GPP | Descriptor: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | Authors: | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | Deposit date: | 2009-11-23 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability. Chem.Biol.Drug Des., 75, 2010
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7L1X
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![BU of 7l1x by Molmil](/molmil-images/mine/7l1x) | Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | Descriptor: | (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Rechkoblit, O, Aggarwal, A.K. | Deposit date: | 2020-12-15 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease. Nat Commun, 12, 2021
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5UG4
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![BU of 5ug4 by Molmil](/molmil-images/mine/5ug4) | Structure of spermidine N-acetyltransferase SpeG from Vibrio cholerae | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-01-06 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of spermidine N-acetyltransferase SpeG from Vibrio cholerae To Be Published
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3L2E
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![BU of 3l2e by Molmil](/molmil-images/mine/3l2e) | Glycocyamine kinase, alpha-beta heterodimer from marine worm Namalycastis sp. | Descriptor: | Glycocyamine kinase alpha chain, Glycocyamine kinase beta chain | Authors: | Lim, K, Pullalarevu, S, Herzberg, O. | Deposit date: | 2009-12-15 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member. Biochemistry, 49, 2010
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7KXW
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![BU of 7kxw by Molmil](/molmil-images/mine/7kxw) | Crystal structure of DCLK1-KD in complex with DCLK1-IN-1 | Descriptor: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase DCLK1, ... | Authors: | Patel, O, Lucet, I. | Deposit date: | 2020-12-05 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1. Commun Biol, 4, 2021
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7KX8
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![BU of 7kx8 by Molmil](/molmil-images/mine/7kx8) | Crystal structure of DCLK1-Cter in complex with FMF-03-055-1 | Descriptor: | 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase DCLK1 | Authors: | Patel, O, Lucet, I. | Deposit date: | 2020-12-03 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1. Commun Biol, 4, 2021
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3KPT
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![BU of 3kpt by Molmil](/molmil-images/mine/3kpt) | Crystal structure of BcpA, the major pilin subunit of Bacillus cereus | Descriptor: | CALCIUM ION, Collagen adhesion protein | Authors: | Poor, C.B, Budzik, J.M, Schneewind, O, He, C. | Deposit date: | 2009-11-16 | Release date: | 2009-11-24 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Intramolecular amide bonds stabilize pili on the surface of bacilli. Proc.Natl.Acad.Sci.USA, 106, 2009
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3KQF
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![BU of 3kqf by Molmil](/molmil-images/mine/3kqf) | 1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis. | Descriptor: | CALCIUM ION, CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein | Authors: | Minasov, G, Halavaty, A, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-11-17 | Release date: | 2009-11-24 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis. TO BE PUBLISHED
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3KUU
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![BU of 3kuu by Molmil](/molmil-images/mine/3kuu) | Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis | Descriptor: | Phosphoribosylaminoimidazole carboxylase catalytic subunit PurE, SULFATE ION | Authors: | Anderson, S.M, Wawrzak, Z, Brunzelle, J.S, Onopriyenko, O, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-11-27 | Release date: | 2009-12-22 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis To be Published
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5TY9
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![BU of 5ty9 by Molmil](/molmil-images/mine/5ty9) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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7KX6
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![BU of 7kx6 by Molmil](/molmil-images/mine/7kx6) | Crystal structure of DCLK1-KD in complex with XMD8-85 | Descriptor: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase DCLK1 | Authors: | Patel, O, Lucet, I. | Deposit date: | 2020-12-03 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1. Commun Biol, 4, 2021
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5UE1
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![BU of 5ue1 by Molmil](/molmil-images/mine/5ue1) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase in complex with adenine from Vibrio fischeri ES114 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-29 | Release date: | 2017-01-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Vibrio fischeri ES114 To Be Published
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3KSY
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![BU of 3ksy by Molmil](/molmil-images/mine/3ksy) | |
3L31
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![BU of 3l31 by Molmil](/molmil-images/mine/3l31) | Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | Authors: | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | Deposit date: | 2009-12-16 | Release date: | 2010-04-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate. J.Mol.Biol., 2010
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3L4E
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![BU of 3l4e by Molmil](/molmil-images/mine/3l4e) | |
1DJW
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![BU of 1djw by Molmil](/molmil-images/mine/1djw) | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHONATE | Descriptor: | ACETATE ION, CALCIUM ION, INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE, ... | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | Deposit date: | 1996-08-24 | Release date: | 1997-07-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C. Biochemistry, 36, 1997
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5UH0
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![BU of 5uh0 by Molmil](/molmil-images/mine/5uh0) | 1.95 Angstrom Resolution Crystal Structure of Fragment (35-274) of Membrane-bound Lytic Murein Transglycosylase F from Yersinia pestis. | Descriptor: | CHLORIDE ION, Membrane-bound lytic murein transglycosylase F | Authors: | Minasov, G, Shuvalova, L, Flores, K, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-01-10 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Resolution Crystal Structure of Fragment (35-274) of Membrane-bound Lytic Murein Transglycosylase F from Yersinia pestis. To Be Published
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7KOM
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![BU of 7kom by Molmil](/molmil-images/mine/7kom) | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6 | Descriptor: | FORMIC ACID, Oxidored_molyb domain-containing protein, SODIUM ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2021-11-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6. To Be Published
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7KP2
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![BU of 7kp2 by Molmil](/molmil-images/mine/7kp2) | High Resolution Crystal Structure of Putative Pterin Binding Protein (PruR) from Vibrio cholerae O1 biovar El Tor str. N16961 in Complex with Neopterin | Descriptor: | L-NEOPTERIN, Putative Pterin Binding Protein | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Pshenychnyi, S, Dubrovska, I, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-10 | Release date: | 2021-11-17 | Last modified: | 2022-08-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | High Resolution Crystal Structure of Putative Pterin Binding Protein (PruR) from Vibrio cholerae O1 biovar El Tor str. N16961 in Complex with Neopterin. To Be Published
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3KWX
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![BU of 3kwx by Molmil](/molmil-images/mine/3kwx) | Chemically modified Taka alpha-amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION | Authors: | Siddiqui, K.S, Harrop, S.J, Poljak, A, De Francisci, D, Guerriero, G, Pilak, O, Burg, D, Raftery, M.J, Parkin, D.M, Trewhella, J, Cavicchioli, R. | Deposit date: | 2009-12-01 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Modified alpha-amylase with a molten-globule state has enhanced thermal stability To be Published
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7L75
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![BU of 7l75 by Molmil](/molmil-images/mine/7l75) | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Foldase protein PrsA | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans. To Be Published
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7L6L
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![BU of 7l6l by Molmil](/molmil-images/mine/7l6l) | Crystal Structure of the DNA-binding Transcriptional Repressor DeoR from Escherichia coli str. K-12 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Deoxyribose operon repressor, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the DNA-binding Transcriptional Repressor DeoR from Escherichia coli str. K-12. To Be Published
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7L6J
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![BU of 7l6j by Molmil](/molmil-images/mine/7l6j) | Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia | Descriptor: | CHLORIDE ION, FORMIC ACID, Putative hydrolase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia To Be Published
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