7S5B
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7SD4
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![BU of 7sd4 by Molmil](/molmil-images/mine/7sd4) | SARS-CoV-2 Nucleocapsid N-terminal domain (N-NTD) protein | Descriptor: | Nucleoprotein | Authors: | Sarkar, S, Runge, B, Russell, R.W, Calero, D, Zeinalilathori, S, Quinn, C.M, Lu, M, Calero, G, Gronenborn, A.M, Polenova, T. | Deposit date: | 2021-09-29 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain. J.Am.Chem.Soc., 144, 2022
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5I9H
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![BU of 5i9h by Molmil](/molmil-images/mine/5i9h) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2 | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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6LNU
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![BU of 6lnu by Molmil](/molmil-images/mine/6lnu) | Cryo-EM structure of immature Zika virus | Descriptor: | Genome polyprotein | Authors: | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | Deposit date: | 2020-01-02 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Capsid protein structure in Zika virus reveals the flavivirus assembly process. Nat Commun, 11, 2020
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6MBN
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![BU of 6mbn by Molmil](/molmil-images/mine/6mbn) | LptB E163Q in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Owens, T.W, Ruiz, N, Kahne, D. | Deposit date: | 2018-08-30 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Combining Mutations That Inhibit Two Distinct Steps of the ATP Hydrolysis Cycle Restores Wild-Type Function in the Lipopolysaccharide Transporter and Shows that ATP Binding Triggers Transport. Mbio, 10, 2019
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7SJN
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![BU of 7sjn by Molmil](/molmil-images/mine/7sjn) | HtrA1:Fab15H6.v4 complex | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
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5IOX
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![BU of 5iox by Molmil](/molmil-images/mine/5iox) | Xanthomonas campestris Peroxiredoxin Q - Structure LUss | Descriptor: | Bacterioferritin comigratory protein | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | Deposit date: | 2016-03-09 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
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5IF1
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![BU of 5if1 by Molmil](/molmil-images/mine/5if1) | Crystal structure apo CDK2/cyclin A | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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5IFF
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![BU of 5iff by Molmil](/molmil-images/mine/5iff) | Crystal structure of R.PabI-nonspecific DNA complex | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*TP*AP*GP*TP*TP*CP*GP*AP*AP*CP*TP*AP*GP*TP*GP*C)-3'), Uncharacterized protein | Authors: | Wang, D, Miyazono, K, Tanokura, M. | Deposit date: | 2016-02-26 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrameric structure of the restriction DNA glycosylase R.PabI in complex with nonspecific double-stranded DNA. Sci Rep, 6, 2016
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5IFR
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![BU of 5ifr by Molmil](/molmil-images/mine/5ifr) | Structure of the stable UBE2D3-UbDha conjugate | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | Deposit date: | 2016-02-26 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes. Nat.Chem.Biol., 12, 2016
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6LZL
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![BU of 6lzl by Molmil](/molmil-images/mine/6lzl) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Liu, Z.H, Wu, D, Lu, W.Q, Huang, J. | Deposit date: | 2020-02-19 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine To Be Published
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7SFM
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![BU of 7sfm by Molmil](/molmil-images/mine/7sfm) | Mycobacterium tuberculosis Hip1 crystal structure | Descriptor: | ACETATE ION, GLYCEROL, Hip1 | Authors: | Ostrov, D.A, Li, D. | Deposit date: | 2021-10-04 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
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5I2Z
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![BU of 5i2z by Molmil](/molmil-images/mine/5i2z) | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | Deposit date: | 2016-02-09 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
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5I4H
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7SJO
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![BU of 7sjo by Molmil](/molmil-images/mine/7sjo) | HtrA1S328A:Fab15H6.v4 complex | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
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5I91
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![BU of 5i91 by Molmil](/molmil-images/mine/5i91) | Structure of Mouse Acirecutone dioxygenase with to Ni2+ and 2-keto-4-(methylthio)-butyric acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, NICKEL (II) ION | Authors: | Deshpande, A.R, Robinson, H, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5I9G
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![BU of 5i9g by Molmil](/molmil-images/mine/5i9g) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2 | Descriptor: | RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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7SF3
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![BU of 7sf3 by Molmil](/molmil-images/mine/7sf3) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7SFH
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![BU of 7sfh by Molmil](/molmil-images/mine/7sfh) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML102 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-03 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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7SGH
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![BU of 7sgh by Molmil](/molmil-images/mine/7sgh) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N | Descriptor: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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5IEV
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![BU of 5iev by Molmil](/molmil-images/mine/5iev) | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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7SFB
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7SFI
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![BU of 7sfi by Molmil](/molmil-images/mine/7sfi) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML104 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION, ... | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-03 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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6LTO
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![BU of 6lto by Molmil](/molmil-images/mine/6lto) | cryo-EM structure of full length human Pannexin1 | Descriptor: | Pannexin-1 | Authors: | Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D. | Deposit date: | 2020-01-23 | Release date: | 2020-05-13 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for gating mechanism of Pannexin 1 channel. Cell Res., 30, 2020
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7SET
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![BU of 7set by Molmil](/molmil-images/mine/7set) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-01 | Release date: | 2022-10-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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