6TRL
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6TLE
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6AU9
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![BU of 6au9 by Molmil](/molmil-images/mine/6au9) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid | 分子名称: | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2017-08-31 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018
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5FGS
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![BU of 5fgs by Molmil](/molmil-images/mine/5fgs) | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group | 分子名称: | Cell surface protein SpaA, ZINC ION | 著者 | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | 登録日 | 2015-12-21 | 公開日 | 2016-07-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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6PS7
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![BU of 6ps7 by Molmil](/molmil-images/mine/6ps7) | XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PU6
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![BU of 6pu6 by Molmil](/molmil-images/mine/6pu6) | CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide | 分子名称: | ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... | 著者 | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | 登録日 | 2019-07-17 | 公開日 | 2020-07-22 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.293 Å) | 主引用文献 | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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8A8N
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5DF7
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![BU of 5df7 by Molmil](/molmil-images/mine/5df7) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | 著者 | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | 登録日 | 2015-08-26 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms. Febs Lett., 590, 2016
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2DQF
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![BU of 2dqf by Molmil](/molmil-images/mine/2dqf) | Crystal structure of hyhel-10 FV mutant (y33ay53a) complexed with hen egg lysozyme | 分子名称: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | 著者 | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | 登録日 | 2006-05-25 | 公開日 | 2007-01-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL J.Biol.Chem., 282, 2007
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6TXF
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![BU of 6txf by Molmil](/molmil-images/mine/6txf) | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | 登録日 | 2020-01-14 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6AP1
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![BU of 6ap1 by Molmil](/molmil-images/mine/6ap1) | Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p | 分子名称: | ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | 著者 | Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P. | 登録日 | 2017-08-16 | 公開日 | 2017-12-06 | 最終更新日 | 2018-07-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets. Elife, 6, 2017
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5DGU
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![BU of 5dgu by Molmil](/molmil-images/mine/5dgu) | Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | 分子名称: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Agniswamy, J, Wang, Y.-F, Weber, I.T. | 登録日 | 2015-08-28 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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8A4A
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![BU of 8a4a by Molmil](/molmil-images/mine/8a4a) | Structure of human Rep15 in complex with bovine Rab3C. | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab15 effector protein, ... | 著者 | Rai, A, Vetter, I.R, Goody, R.S. | 登録日 | 2022-06-10 | 公開日 | 2022-08-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector. Nat Commun, 13, 2022
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6UNG
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![BU of 6ung by Molmil](/molmil-images/mine/6ung) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2019-10-11 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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2DSO
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![BU of 2dso by Molmil](/molmil-images/mine/2dso) | Crystal structure of D138N mutant of Drp35, a 35kDa drug responsive protein from Staphylococcus aureus | 分子名称: | CALCIUM ION, Drp35, GLYCEROL | 著者 | Tanaka, Y, Ohki, Y, Morikawa, K, Yao, M, Watanabe, N, Ohta, T, Tanaka, I. | 登録日 | 2006-07-04 | 公開日 | 2006-12-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Mutational Analyses of Drp35 from Staphylococcus aureus: A POSSIBLE MECHANISM FOR ITS LACTONASE ACTIVITY J.Biol.Chem., 282, 2007
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6UNJ
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![BU of 6unj by Molmil](/molmil-images/mine/6unj) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2019-10-12 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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5HM8
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![BU of 5hm8 by Molmil](/molmil-images/mine/5hm8) | 2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine and NAD. | 分子名称: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | 著者 | Minasov, G, Shuvalova, L, Halavaty, A, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-01-15 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | 2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine and NAD. To Be Published
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6HHG
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![BU of 6hhg by Molmil](/molmil-images/mine/6hhg) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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2DDH
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![BU of 2ddh by Molmil](/molmil-images/mine/2ddh) | Crystal Structure of Acyl-CoA oxidase complexed with 3-OH-dodecanoate | 分子名称: | (3R)-3-HYDROXYDODECANOIC ACID, Acyl-CoA oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Keiji, T, Nakajima, Y, Miyahara, I, Hirotsu, K. | 登録日 | 2006-01-29 | 公開日 | 2006-03-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Three-Dimensional Structure of Rat-Liver Acyl-CoA Oxidase in Complex with a Fatty Acid: Insights into Substrate-Recognition and Reactivity toward Molecular Oxygen. J.Biochem.(Tokyo), 139, 2006
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6XU2
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![BU of 6xu2 by Molmil](/molmil-images/mine/6xu2) | Human karyopherin RanBP5 (isoform-3) | 分子名称: | Antipain, Importin-5, NICKEL (II) ION | 著者 | Swale, C, McCarthy, A.A, Berger, I, Bieniossek, C, Delmas, B, Ruigrok, R.W.H, Crepin, T. | 登録日 | 2020-01-17 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.834 Å) | 主引用文献 | X-ray Structure of the Human Karyopherin RanBP5, an Essential Factor for Influenza Polymerase Nuclear Trafficking. J.Mol.Biol., 432, 2020
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7WPY
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2DFT
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![BU of 2dft by Molmil](/molmil-images/mine/2dft) | Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and Mg at 2.8 angstrons of resolution | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Dias, M.V, Faim, L.M, Vasconcelos, I.B, de Oliveira, J.S, Basso, L.A, Santos, D.S, de Azevedo, W.F. | 登録日 | 2006-03-03 | 公開日 | 2007-01-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis ACTA CRYSTALLOGR.,SECT.F, 63, 2007
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1SQ2
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![BU of 1sq2 by Molmil](/molmil-images/mine/1sq2) | Crystal Structure Analysis of the Nurse Shark New Antigen Receptor (NAR) Variable Domain in Complex With Lysozyme | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Stanfield, R.L, Dooley, H, Flajnik, M.F, Wilson, I.A. | 登録日 | 2004-03-17 | 公開日 | 2004-08-24 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of a shark single-domain antibody V region in complex with lysozyme. Science, 305, 2004
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2DSA
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![BU of 2dsa by Molmil](/molmil-images/mine/2dsa) | Ternary complex of BphK, a bacterial GST | 分子名称: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, GLUTATHIONE, Glutathione S-transferase | 著者 | Tocheva, E.I, Murphy, M.E.P. | 登録日 | 2006-06-24 | 公開日 | 2006-08-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of ternary complexes of BphK, a bacterial glutathione S-transferase that reductively dechlorinates polychlorinated biphenyl metabolites J.Biol.Chem., 281, 2006
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7ZRL
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![BU of 7zrl by Molmil](/molmil-images/mine/7zrl) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E2-P conformation, under turnover conditions | 分子名称: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | 登録日 | 2022-05-04 | 公開日 | 2022-11-16 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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