8EPI
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![BU of 8epi by Molmil](/molmil-images/mine/8epi) | Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*TP*A)-3') | Authors: | Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C. | Deposit date: | 2022-10-05 | Release date: | 2023-03-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions. J.Am.Chem.Soc., 145, 2023
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8F40
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![BU of 8f40 by Molmil](/molmil-images/mine/8f40) | Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*T)-3'), DNA (5'-D(P*AP*AP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*GP*C)-3') | Authors: | Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions. J.Am.Chem.Soc., 145, 2023
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8EPF
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![BU of 8epf by Molmil](/molmil-images/mine/8epf) | Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*TP*GP*GP*TP*GP*GP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*GP*TP*AP*CP*CP*AP*GP*CP*CP*GP*AP*AP*CP*CP*TP*G)-3') | Authors: | Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C. | Deposit date: | 2022-10-05 | Release date: | 2023-03-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions. J.Am.Chem.Soc., 145, 2023
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1M2C
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![BU of 1m2c by Molmil](/molmil-images/mine/1m2c) | THREE-DIMENSIONAL STRUCTURE OF ALPHA-CONOTOXIN MII, NMR, 14 STRUCTURES | Descriptor: | ALPHA-CONOTOXIN MII | Authors: | Shon, K.J, Koerber, S.C, Rivier, J.E, Olivera, B.M, Mcintosh, J.M. | Deposit date: | 1997-09-15 | Release date: | 1998-12-09 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A new alpha-conotoxin which targets alpha3beta2 nicotinic acetylcholine receptors. J.Biol.Chem., 271, 1996
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3KBT
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![BU of 3kbt by Molmil](/molmil-images/mine/3kbt) | |
8EP8
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![BU of 8ep8 by Molmil](/molmil-images/mine/8ep8) | Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*C)-3') | Authors: | Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C. | Deposit date: | 2022-10-05 | Release date: | 2023-03-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions. J.Am.Chem.Soc., 145, 2023
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6G5W
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![BU of 6g5w by Molmil](/molmil-images/mine/6g5w) | Crystal Structure of KDM4A with compound YP-03-038 | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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3KER
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![BU of 3ker by Molmil](/molmil-images/mine/3ker) | |
3KBU
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![BU of 3kbu by Molmil](/molmil-images/mine/3kbu) | |
6FXX
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![BU of 6fxx by Molmil](/molmil-images/mine/6fxx) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal, Hg2+ Soak | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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1N1M
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![BU of 1n1m by Molmil](/molmil-images/mine/1n1m) | Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor | Descriptor: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rasmussen, H.B, Branner, S, Wiberg, F.C, Wagtmann, N.R. | Deposit date: | 2002-10-18 | Release date: | 2002-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human dipeptidyl peptidase IV/CD26 in complex with a substrate analogue Nat.Struct.Biol., 10, 2003
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6G2D
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![BU of 6g2d by Molmil](/molmil-images/mine/6g2d) | Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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6G4Y
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![BU of 6g4y by Molmil](/molmil-images/mine/6g4y) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | Descriptor: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6MVA
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![BU of 6mva by Molmil](/molmil-images/mine/6mva) | LDHA structure in complex with inhibitor 14 | Descriptor: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase To Be Published
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3KO6
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6G5X
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![BU of 6g5x by Molmil](/molmil-images/mine/6g5x) | Crystal Structure of KDM4A with compound YP-02-145 | Descriptor: | 1,2-ETHANEDIOL, 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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3KT1
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![BU of 3kt1 by Molmil](/molmil-images/mine/3kt1) | Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex | Descriptor: | FE (III) ION, GLYCEROL, PKHD-type hydroxylase TPA1, ... | Authors: | Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W. | Deposit date: | 2009-11-24 | Release date: | 2010-01-19 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex Nucleic Acids Res., 38, 2010
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1NIW
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![BU of 1niw by Molmil](/molmil-images/mine/1niw) | Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ... | Authors: | Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-12-26 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for endothelial nitric oxide synthase binding to calmodulin Embo J., 22, 2003
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4NUB
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6FXM
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![BU of 6fxm by Molmil](/molmil-images/mine/6fxm) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+ | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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3KT7
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![BU of 3kt7 by Molmil](/molmil-images/mine/3kt7) | Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W. | Deposit date: | 2009-11-24 | Release date: | 2010-01-19 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex Nucleic Acids Res., 38, 2010
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4XC8
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![BU of 4xc8 by Molmil](/molmil-images/mine/4xc8) | Isobutyryl-CoA mutase fused with bound butyryl-CoA, GDP, and Mg and without cobalamin (apo-IcmF/GDP) | Descriptor: | Butyryl Coenzyme A, GUANOSINE-5'-DIPHOSPHATE, Isobutyryl-CoA mutase fused, ... | Authors: | Jost, M, Drennan, C.L. | Deposit date: | 2014-12-17 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Visualization of a radical B12 enzyme with its G-protein chaperone. Proc.Natl.Acad.Sci.USA, 112, 2015
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3KWF
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![BU of 3kwf by Molmil](/molmil-images/mine/3kwf) | human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | Descriptor: | (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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6N2Y
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![BU of 6n2y by Molmil](/molmil-images/mine/6n2y) | Bacillus PS3 ATP synthase class 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Guo, H, Rubinstein, J.L. | Deposit date: | 2018-11-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of a bacterial ATP synthase. Elife, 8, 2019
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4XJV
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![BU of 4xjv by Molmil](/molmil-images/mine/4xjv) | Crystal structure of human thioesterase 2 | Descriptor: | CHLORIDE ION, S-acyl fatty acid synthase thioesterase, medium chain | Authors: | Ritchie, M.K, Kridel, S.J, Lowther, W.T. | Deposit date: | 2015-01-09 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure and Substrate Specificity of Human Thioesterase 2: INSIGHTS INTO THE MOLECULAR BASIS FOR THE MODULATION OF FATTY ACID SYNTHASE. J.Biol.Chem., 291, 2016
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