4WFT
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![BU of 4wft by Molmil](/molmil-images/mine/4wft) | Crystal structure of tRNA-dihydrouridine(20) synthase dsRBD domain | Descriptor: | tRNA-dihydrouridine(20) synthase [NAD(P)+]-like | Authors: | Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D. | Deposit date: | 2014-09-17 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An extended dsRBD is required for post-transcriptional modification in human tRNAs. Nucleic Acids Res., 43, 2015
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3FZG
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![BU of 3fzg by Molmil](/molmil-images/mine/3fzg) | Structure of the 16S rRNA methylase ArmA | Descriptor: | 16S rRNA methylase, S-ADENOSYLMETHIONINE | Authors: | Schmitt, E, Galimand, M, Panvert, M, Courvalin, P, Mechulam, Y. | Deposit date: | 2009-01-26 | Release date: | 2009-08-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases J.Mol.Biol., 388, 2009
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7C75
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![BU of 7c75 by Molmil](/molmil-images/mine/7c75) | Crystal structure of yak lactoperoxidase with partially coordinated Na ion in the distal heme cavity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Singh, P.K, Viswanathan, V, Rani, C, Ahmad, N, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem., 26, 2021
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6HWO
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![BU of 6hwo by Molmil](/molmil-images/mine/6hwo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-10-12 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5WM0
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7C2V
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![BU of 7c2v by Molmil](/molmil-images/mine/7c2v) | Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948 | Descriptor: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Krishnamurthy, N.R, Robert, B. | Deposit date: | 2020-05-09 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Acs Med.Chem.Lett., 11, 2020
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7C2W
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1CKE
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![BU of 1cke by Molmil](/molmil-images/mine/1cke) | CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE | Descriptor: | PROTEIN (CYTIDINE MONOPHOSPHATE KINASE), SULFATE ION | Authors: | Briozzo, P, Golinelli-Pimpaneau, B. | Deposit date: | 1998-09-24 | Release date: | 1999-09-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of escherichia coli CMP kinase alone and in complex with CDP: a new fold of the nucleoside monophosphate binding domain and insights into cytosine nucleotide specificity. Structure, 6, 1998
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1A0L
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![BU of 1a0l by Molmil](/molmil-images/mine/1a0l) | HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE | Descriptor: | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE | Authors: | Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W. | Deposit date: | 1997-12-03 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human beta-tryptase is a ring-like tetramer with active sites facing a central pore. Nature, 392, 1998
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5NYG
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1XIL
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![BU of 1xil by Molmil](/molmil-images/mine/1xil) | HYDROGEN BONDING IN HUMAN MANGANESE SUPEROXIDE DISMUTASE CONTAINING 3-FLUOROTYROSINE | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N. | Deposit date: | 2004-09-21 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine Biophys.J., 89, 2005
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1RHH
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![BU of 1rhh by Molmil](/molmil-images/mine/1rhh) | Crystal Structure of the Broadly HIV-1 Neutralizing Fab X5 at 1.90 Angstrom Resolution | Descriptor: | Fab X5, heavy chain, light chain | Authors: | Darbha, R, Phogat, S, Labrijn, A.F, Shu, Y, Gu, Y, Andrykovitch, M, Zhang, M.Y, Pantophlet, R, Martin, L, Vita, C, Burton, D.R, Dimitrov, D.S, Ji, X. | Deposit date: | 2003-11-14 | Release date: | 2004-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Broadly Cross-Reactive HIV-1-Neutralizing Fab X5 and Fine Mapping of Its Epitope Biochemistry, 43, 2004
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3GB7
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![BU of 3gb7 by Molmil](/molmil-images/mine/3gb7) | Potassium Channel KcsA-Fab complex in Li+ | Descriptor: | DIACYL GLYCEROL, NICKEL (II) ION, Voltage-gated potassium channel, ... | Authors: | Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M. | Deposit date: | 2009-02-18 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore. Nat.Struct.Mol.Biol., 16, 2009
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2C5X
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![BU of 2c5x by Molmil](/molmil-images/mine/2c5x) | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | Authors: | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-11-03 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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7C6B
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![BU of 7c6b by Molmil](/molmil-images/mine/7c6b) | Crystal structure of Ago2 MID domain in complex with 6-(3-(2-carboxyethyl)phenyl)purine riboside monophosphate | Descriptor: | 3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid, PHOSPHATE ION, Protein argonaute-2 | Authors: | Suzuki, M, Takahashi, Y, Saito, J, Miyagi, H, Shinohara, F. | Deposit date: | 2020-05-21 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | siRNA potency enhancement via chemical modifications of nucleotide bases at the 5'-end of the siRNA guide strand. Rna, 27, 2021
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5MRG
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![BU of 5mrg by Molmil](/molmil-images/mine/5mrg) | Solution structure of TDP-43 (residues 1-102) | Descriptor: | TAR DNA-binding protein 43 | Authors: | Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F.E, Laurents, D.V. | Deposit date: | 2016-12-22 | Release date: | 2017-06-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Point mutations in the N-terminal domain of transactive response DNA-binding protein 43 kDa (TDP-43) compromise its stability, dimerization, and functions. J. Biol. Chem., 292, 2017
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7A1W
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![BU of 7a1w by Molmil](/molmil-images/mine/7a1w) | KRASG12C GDP form in complex with Cpd3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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7A1Y
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![BU of 7a1y by Molmil](/molmil-images/mine/7a1y) | KRASG12C GDP form in complex with Cpd2 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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3DLR
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2W0H
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![BU of 2w0h by Molmil](/molmil-images/mine/2w0h) | X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH | Descriptor: | ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | Deposit date: | 2008-08-18 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis. J.Med.Chem., 52, 2009
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1ZOM
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![BU of 1zom by Molmil](/molmil-images/mine/1zom) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor | Descriptor: | (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. | Deposit date: | 2005-05-13 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J.Med.Chem., 49, 2006
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7C7D
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![BU of 7c7d by Molmil](/molmil-images/mine/7c7d) | Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3 | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, alpha-1,3-glucanase | Authors: | Itoh, T, Panti, N, Toyotake, Y, Hayashi, J, Suyotha, W, Yano, S, Wakayama, M, Hibi, T. | Deposit date: | 2020-05-25 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3. Biochem.Biophys.Res.Commun., 533, 2020
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1Z2Q
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1YHZ
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![BU of 1yhz by Molmil](/molmil-images/mine/1yhz) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Chlorsulfuron | Descriptor: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2005-01-10 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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3FRI
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![BU of 3fri by Molmil](/molmil-images/mine/3fri) | Structure of the 16S rRNA methylase RmtB, I222 | Descriptor: | 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y. | Deposit date: | 2009-01-08 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases J.Mol.Biol., 388, 2009
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