1FC0
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![BU of 1fc0 by Molmil](/molmil-images/mine/1fc0) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE | Descriptor: | GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.M, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J. | Deposit date: | 2000-07-17 | Release date: | 2000-08-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core. Mol.Cell, 6, 2000
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1K8J
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![BU of 1k8j by Molmil](/molmil-images/mine/1k8j) | NMR STRUCTURE OF THE CK14 DNA DUPLEX: A PORTION OF THE KNOWN NF-kB SEQUENCE CK1 | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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1K8N
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![BU of 1k8n by Molmil](/molmil-images/mine/1k8n) | NMR structure of the XBY2 DNA duplex, an analog of CK14 containing phosphorodithioate groups at C22 and C24 | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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1EXY
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![BU of 1exy by Molmil](/molmil-images/mine/1exy) | SOLUTION STRUCTURE OF HTLV-1 PEPTIDE BOUND TO ITS RNA APTAMER TARGET | Descriptor: | HTLV-1 REX PEPTIDE, RNA APTAMER, 33-MER | Authors: | Jiang, F, Gorin, A, Hu, W, Majumdar, A, Baskerville, S, Xu, W, Ellington, A, Patel, D.J. | Deposit date: | 2000-05-05 | Release date: | 2000-05-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Anchoring an extended HTLV-1 Rex peptide within an RNA major groove containing junctional base triples. Structure Fold.Des., 7, 1999
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1EXV
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![BU of 1exv by Molmil](/molmil-images/mine/1exv) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-403,700 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LIVER GLYCOGEN PHOSPHORYLASE, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-05-04 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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1FJB
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![BU of 1fjb by Molmil](/molmil-images/mine/1fjb) | NMR Study of an 11-Mer DNA Duplex Containing 7,8-Dihydro-8-Oxoadenine (AOXO) Opposite Thymine | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*(A38)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*TP*GP*TP*AP*CP*G)-3') | Authors: | Chen, H, Johnson, F, Grollman, A.P, Patel, D.J. | Deposit date: | 1995-12-15 | Release date: | 1996-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Studies of the Ionizing Radiation Adduct 7,8-Dihydro-8-Oxoadenine (A Oxo) Positioned Opposite Thymine and Guanine in DNA Duplexes MAGN.RESON.CHEM., 34, 1996
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1KJ6
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![BU of 1kj6 by Molmil](/molmil-images/mine/1kj6) | Solution Structure of Human beta-Defensin 3 | Descriptor: | Beta-defensin 3 | Authors: | Schibli, D.J, Hunter, H.N, Aseyev, V, Starner, T.D, Wiencek, J.M, McCray Jr, P.B, Tack, B.F, Vogel, H.J. | Deposit date: | 2001-12-04 | Release date: | 2002-03-20 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structures of the human beta-defensins lead to a better understanding of the potent bactericidal activity of HBD3 against Staphylococcus aureus. J.Biol.Chem., 277, 2002
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1FG9
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![BU of 1fg9 by Molmil](/molmil-images/mine/1fg9) | 3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER | Descriptor: | INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN | Authors: | Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E. | Deposit date: | 2000-07-28 | Release date: | 2000-08-11 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex. Structure Fold.Des., 8, 2000
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1FMN
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![BU of 1fmn by Molmil](/molmil-images/mine/1fmn) | SOLUTION STRUCTURE OF FMN-RNA APTAMER COMPLEX, NMR, 5 STRUCTURES | Descriptor: | FLAVIN MONONUCLEOTIDE, RNA (5'-R(*GP*GP*CP*GP*UP*GP*UP*AP*GP*GP *AP*UP*AP*UP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*AP*AP*GP *GP*AP*CP*AP*CP*GP*CP*C)-3') | Authors: | Fan, P, Suri, A.K, Fiala, R, Live, D, Patel, D.J. | Deposit date: | 1995-12-04 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular recognition in the FMN-RNA aptamer complex. J.Mol.Biol., 258, 1996
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1FJA
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![BU of 1fja by Molmil](/molmil-images/mine/1fja) | |
6PCS
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![BU of 6pcs by Molmil](/molmil-images/mine/6pcs) | E. coli 50S ribosome bound to compound 40e | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-18 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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2KF4
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![BU of 2kf4 by Molmil](/molmil-images/mine/2kf4) | Barnase high pressure structure | Descriptor: | Ribonuclease | Authors: | Williamson, M.P, Wilton, D.J. | Deposit date: | 2009-02-11 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations. Biophys.J., 97, 2009
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2KF6
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![BU of 2kf6 by Molmil](/molmil-images/mine/2kf6) | |
2KGG
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![BU of 2kgg by Molmil](/molmil-images/mine/2kgg) | |
2KHB
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![BU of 2khb by Molmil](/molmil-images/mine/2khb) | |
6PFB
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![BU of 6pfb by Molmil](/molmil-images/mine/6pfb) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | Descriptor: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PCQ
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![BU of 6pcq by Molmil](/molmil-images/mine/6pcq) | E. coli 50S ribosome bound to VM2 | Descriptor: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-18 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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2KF3
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6PFA
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![BU of 6pfa by Molmil](/molmil-images/mine/6pfa) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid. | Descriptor: | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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2K7O
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![BU of 2k7o by Molmil](/molmil-images/mine/2k7o) | Ca2+-S100B, refined with RDCs | Descriptor: | CALCIUM ION, Protein S100-B | Authors: | Wright, N.T, Inman, K.G, Levine, J.A, Weber, D.J. | Deposit date: | 2008-08-17 | Release date: | 2008-11-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B. J.Biomol.Nmr, 42, 2008
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6PCT
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![BU of 6pct by Molmil](/molmil-images/mine/6pct) | E. coli 50S ribosome bound to compound 41q | Descriptor: | (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-18 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PC6
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![BU of 6pc6 by Molmil](/molmil-images/mine/6pc6) | E. coli 50S ribosome bound to compound 47 | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PDZ
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![BU of 6pdz by Molmil](/molmil-images/mine/6pdz) | |
6PF4
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![BU of 6pf4 by Molmil](/molmil-images/mine/6pf4) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.854 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFI
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![BU of 6pfi by Molmil](/molmil-images/mine/6pfi) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | Descriptor: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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