2IRW
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![BU of 2irw by Molmil](/molmil-images/mine/2irw) | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | Descriptor: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | Deposit date: | 2006-10-16 | Release date: | 2007-01-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 17, 2007
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5YWZ
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![BU of 5ywz by Molmil](/molmil-images/mine/5ywz) | AID-SUN tandem of SUN1 | Descriptor: | SUN domain-containing protein 1 | Authors: | Xu, Y, Li, W, Feng, W. | Deposit date: | 2017-11-30 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural conservation of the autoinhibitory domain in SUN proteins Biochem. Biophys. Res. Commun., 496, 2018
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7ZMH
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![BU of 7zmh by Molmil](/molmil-images/mine/7zmh) | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 1) - membrane arm | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Laube, E, Kuehlbrandt, W. | Deposit date: | 2022-04-19 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum. Sci Adv, 8, 2022
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5IJ7
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![BU of 5ij7 by Molmil](/molmil-images/mine/5ij7) | Structure of Hs/AcPRC2 in complex with a pyridone inhibitor | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | Deposit date: | 2016-03-01 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance. Nat Commun, 7, 2016
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7ZM7
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![BU of 7zm7 by Molmil](/molmil-images/mine/7zm7) | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Laube, E, Kuehlbrandt, W. | Deposit date: | 2022-04-19 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum. Sci Adv, 8, 2022
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7ZM8
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![BU of 7zm8 by Molmil](/molmil-images/mine/7zm8) | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) - membrane arm | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Laube, E, Kuehlbrandt, W. | Deposit date: | 2022-04-19 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum. Sci Adv, 8, 2022
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7ZME
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![BU of 7zme by Molmil](/molmil-images/mine/7zme) | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 2) - membrane arm | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Laube, E, Kuehlbrandt, W. | Deposit date: | 2022-04-19 | Release date: | 2022-11-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum. Sci Adv, 8, 2022
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5I3L
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![BU of 5i3l by Molmil](/molmil-images/mine/5i3l) | DPF3b in complex with H3K14ac peptide | Descriptor: | 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ... | Authors: | Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of DPF3b in complex with an acetylated histone peptide. J.Struct.Biol., 195, 2016
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3PSX
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![BU of 3psx by Molmil](/molmil-images/mine/3psx) | Crystal structure of the KT2 mutant of cytochrome P450 BM3 | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant Dalton Trans, 40, 2011
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5WCO
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![BU of 5wco by Molmil](/molmil-images/mine/5wco) | Matrix Protein (M1) of Infectious Salmon Anaemia Virus | Descriptor: | NS2 | Authors: | Zhang, W, Zheng, W, Toh, Y, Betancourt, M.A, Tu, J, Fan, Y, Vakharia, V, Liu, J, McNew, J.A, Jin, M, Tao, Y.J. | Deposit date: | 2017-07-01 | Release date: | 2017-08-16 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Crystal structure of an orthomyxovirus matrix protein reveals mechanisms for self-polymerization and membrane association. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2ILT
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![BU of 2ilt by Molmil](/molmil-images/mine/2ilt) | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | Descriptor: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | Deposit date: | 2006-10-03 | Release date: | 2007-04-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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5FCT
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![BU of 5fct by Molmil](/molmil-images/mine/5fct) | Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate. | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | Authors: | Dowiercial, A, Wilk, P, Jarmula, A, Rode, W. | Deposit date: | 2015-12-15 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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1O7T
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![BU of 1o7t by Molmil](/molmil-images/mine/1o7t) | Metal nanoclusters bound to the Ferric Binding Protein from Neisseria gonorrhoeae. | Descriptor: | HF OXO CLUSTER HF5, HF-OXO-PHOSPHATE CLUSTER PHF, IRON BINDING PROTEIN, ... | Authors: | Alexeev, D, Zu, H, Guo, M, Zhong, W, Hunter, D.J.B, Yang, W, Campopiano, D.J, Sadler, P.J. | Deposit date: | 2002-11-12 | Release date: | 2003-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A novel protein-mineral interface. Nat. Struct. Biol., 10, 2003
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6EDD
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![BU of 6edd by Molmil](/molmil-images/mine/6edd) | Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ... | Authors: | Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-08-09 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro. Biochemistry, 57, 2018
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6EDV
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![BU of 6edv by Molmil](/molmil-images/mine/6edv) | Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase PA3944, CALCIUM ION, ... | Authors: | Majorek, K.A, Satchell, K.J.F, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-08-12 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro. Biochemistry, 57, 2018
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3IWY
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![BU of 3iwy by Molmil](/molmil-images/mine/3iwy) | |
5IJ8
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![BU of 5ij8 by Molmil](/molmil-images/mine/5ij8) | Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | Deposit date: | 2016-03-01 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance. Nat Commun, 7, 2016
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5ZE1
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![BU of 5ze1 by Molmil](/molmil-images/mine/5ze1) | Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C | Descriptor: | 1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
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5IME
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![BU of 5ime by Molmil](/molmil-images/mine/5ime) | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Li, D, Wang, W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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4JIN
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![BU of 4jin by Molmil](/molmil-images/mine/4jin) | X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086) | Descriptor: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1 | Authors: | Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N. | Deposit date: | 2013-03-06 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Development of novel molecular probes of the Rio1 atypical protein kinase. Biochim.Biophys.Acta, 1834, 2013
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5Z8I
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![BU of 5z8i by Molmil](/molmil-images/mine/5z8i) | |
5Z8Q
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![BU of 5z8q by Molmil](/molmil-images/mine/5z8q) | |
1DP7
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![BU of 1dp7 by Molmil](/molmil-images/mine/1dp7) | COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ... | Authors: | Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K. | Deposit date: | 1999-12-23 | Release date: | 2000-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding. Nature, 403, 2000
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6B7N
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![BU of 6b7n by Molmil](/molmil-images/mine/6b7n) | Cryo-electron microscopy structure of porcine delta coronavirus spike protein in the pre-fusion state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Tai, W, Du, L, Zhou, Y, Zhang, W, Li, F. | Deposit date: | 2017-10-04 | Release date: | 2017-10-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-Electron Microscopy Structure of Porcine Deltacoronavirus Spike Protein in the Prefusion State J. Virol., 92, 2018
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3H8D
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![BU of 3h8d by Molmil](/molmil-images/mine/3h8d) | Crystal structure of Myosin VI in complex with Dab2 peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Disabled homolog 2, ... | Authors: | Yu, C, Feng, W, Wei, Z, Zhang, M. | Deposit date: | 2009-04-29 | Release date: | 2009-09-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Myosin VI undergoes cargo-mediated dimerization Cell(Cambridge,Mass.), 138, 2009
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