7SCY
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![BU of 7scy by Molmil](/molmil-images/mine/7scy) | Nuc147 bound to single BRCT | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B type 1-J, ... | Authors: | Muthurajan, U.M, Rudolph, J.R. | Deposit date: | 2021-09-29 | Release date: | 2022-01-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer. Mol.Cell, 81, 2021
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7SCZ
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![BU of 7scz by Molmil](/molmil-images/mine/7scz) | Nuc147 bound to multiple BRCTs | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B type 1-J, ... | Authors: | Muthurajan, U.M, Rudolph, J. | Deposit date: | 2021-09-29 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The BRCT domain of PARP1 binds intact DNA and mediates intrastrand transfer. Mol.Cell, 81, 2021
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6C05
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![BU of 6c05 by Molmil](/molmil-images/mine/6c05) | Mycobacterium tuberculosis RNAP Holo/RbpA in relaxed state | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (5.15 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6C04
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![BU of 6c04 by Molmil](/molmil-images/mine/6c04) | Mtb RNAP Holo/RbpA/double fork DNA -closed clamp | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6B76
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![BU of 6b76 by Molmil](/molmil-images/mine/6b76) | Crystal Structure of human NAMPT in complex with NVP-LVR596 | Descriptor: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6AZJ
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![BU of 6azj by Molmil](/molmil-images/mine/6azj) | Crystal Structure of human NAMPT in complex with NVP-LQN520 | Descriptor: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-09-11 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6B75
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![BU of 6b75 by Molmil](/molmil-images/mine/6b75) | Crystal Structure of human NAMPT in complex with NVP-LOQ594 | Descriptor: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6ATB
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![BU of 6atb by Molmil](/molmil-images/mine/6atb) | Crystal Structure of human NAMPT in complex with NVP-LOD812 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ... | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-08-28 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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1Q16
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![BU of 1q16 by Molmil](/molmil-images/mine/1q16) | Crystal structure of Nitrate Reductase A, NarGHI, from Escherichia coli | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ... | Authors: | Bertero, M.G, Strynadka, N.C.J. | Deposit date: | 2003-07-18 | Release date: | 2003-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the respiratory electron transfer pathway from the structure of nitrate reductase A Nat.Struct.Biol., 10, 2003
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6BZO
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![BU of 6bzo by Molmil](/molmil-images/mine/6bzo) | Mtb RNAP Holo/RbpA/Fidaxomicin/upstream fork DNA | Descriptor: | DNA (26-MER), DNA (32-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2017-12-25 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6C57
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![BU of 6c57 by Molmil](/molmil-images/mine/6c57) | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109 | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | Authors: | Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2018-01-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors. J. Med. Chem., 61, 2018
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6C56
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![BU of 6c56 by Molmil](/molmil-images/mine/6c56) | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | Authors: | Park, J, Ta, V, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2018-01-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors. J. Med. Chem., 61, 2018
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3PDF
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![BU of 3pdf by Molmil](/molmil-images/mine/3pdf) | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, B, Laine, D. | Deposit date: | 2010-10-22 | Release date: | 2011-10-26 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C. Acs Med.Chem.Lett., 2, 2011
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3QNT
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![BU of 3qnt by Molmil](/molmil-images/mine/3qnt) | NPC1L1 (NTD) Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Niemann-Pick C1-like protein 1 | Authors: | Kwon, H.J. | Deposit date: | 2011-02-09 | Release date: | 2011-05-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | The Structure of the NPC1L1 N-Terminal Domain in a Closed Conformation. Plos One, 6, 2011
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2M3K
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![BU of 2m3k by Molmil](/molmil-images/mine/2m3k) | |
2PPB
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![BU of 2ppb by Molmil](/molmil-images/mine/2ppb) | Crystal structure of the T. thermophilus RNAP polymerase elongation complex with the ntp substrate analog and antibiotic streptolydigin | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(*AP*AP*CP*GP*CP*CP*AP*GP*AP*CP*AP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*TP*GP*TP*CP*TP*GP*GP*CP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*CP*G)-3'), ... | Authors: | Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I, Landick, R. | Deposit date: | 2007-04-28 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for substrate loading in bacterial RNA polymerase. Nature, 448, 2007
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3ONT
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![BU of 3ont by Molmil](/molmil-images/mine/3ont) | |
2O5J
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![BU of 2o5j by Molmil](/molmil-images/mine/2o5j) | |
2G7I
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![BU of 2g7i by Molmil](/molmil-images/mine/2g7i) | |
2XQW
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![BU of 2xqw by Molmil](/molmil-images/mine/2xqw) | Structure of Factor H domains 19-20 in complex with complement C3d | Descriptor: | COMPLEMENT C3, COMPLEMENT FACTOR H | Authors: | Kajander, T, Lehtinen, M.J, Hyvarinen, S, Bhattacharjee, A, Leung, E, Isenman, D.E, Meri, S, Jokiranta, T.S, Goldman, A. | Deposit date: | 2010-09-07 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | Dual Interaction of Factor H with C3D and Glycosaminoglycans in Host-Nonhost Discrimination by Complement. Proc.Natl.Acad.Sci.USA, 108, 2011
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6MWE
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![BU of 6mwe by Molmil](/molmil-images/mine/6mwe) | CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919 | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Angiopoietin-1 receptor, SULFATE ION | Authors: | Chun, L, Abendroth, J, Edwards, T.E. | Deposit date: | 2018-10-29 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2 Mol. Cancer Ther., 16, 2017
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7XSN
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![BU of 7xsn by Molmil](/molmil-images/mine/7xsn) | Native Tetrahymena ribozyme conformation | Descriptor: | RNA (387-MER) | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | Deposit date: | 2022-05-14 | Release date: | 2022-08-03 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSL
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![BU of 7xsl by Molmil](/molmil-images/mine/7xsl) | Misfolded Tetrahymena ribozyme conformation 2 | Descriptor: | RNA (388-MER) | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | Deposit date: | 2022-05-14 | Release date: | 2022-08-03 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSM
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![BU of 7xsm by Molmil](/molmil-images/mine/7xsm) | Misfolded Tetrahymena ribozyme conformation 3 | Descriptor: | RNA (388-MER) | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | Deposit date: | 2022-05-14 | Release date: | 2022-08-03 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.01 Å) | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSK
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![BU of 7xsk by Molmil](/molmil-images/mine/7xsk) | Misfolded Tetrahymena ribozyme conformation 1 | Descriptor: | RNA (388-MER) | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | Deposit date: | 2022-05-14 | Release date: | 2022-08-03 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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