3WYO
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![BU of 3wyo by Molmil](/molmil-images/mine/3wyo) | Heterodimeric myoglobin formed by domain swapping | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.W, Nagao, S, Zhang, M, Shomura, Y, Higuchi, Y, Hirota, S. | Deposit date: | 2014-09-04 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational design of heterodimeric protein using domain swapping for myoglobin. Angew.Chem.Int.Ed.Engl., 54, 2015
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3WZ0
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![BU of 3wz0 by Molmil](/molmil-images/mine/3wz0) | On archaeal homologs of the human RNase P proteins Pop5 and Rpp30 in the hyperthermophilic archaeon Thermococcus kodakarensis | Descriptor: | Ribonuclease P protein component 2, Ribonuclease P protein component 3 | Authors: | Suematsu, K, Ueda, T, Nakashima, T, Kakuta, Y, Kimura, M. | Deposit date: | 2014-09-11 | Release date: | 2015-09-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | On archaeal homologs of the human RNase P proteins Pop5 and Rpp30 in the hyperthermophilic archaeon Thermococcus kodakarensis. Biosci.Biotechnol.Biochem., 79, 2015
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4XLL
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4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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7ZWG
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![BU of 7zwg by Molmil](/molmil-images/mine/7zwg) | The Crystal structure of RO4493940 bound to CK2alpha | Descriptor: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
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7ZWE
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![BU of 7zwe by Molmil](/molmil-images/mine/7zwe) | The Crystal structure of GW8695 bound to CK2alpha | Descriptor: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
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7ZKD
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![BU of 7zkd by Molmil](/molmil-images/mine/7zkd) | The NMR structure of the MAX47 effector from Magnaporthe Oryzae | Descriptor: | MAX effector protein | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-09-04 | Method: | SOLUTION NMR | Cite: | The structural landscape and diversity of Pyricularia oryzae MAX effectors revisited. Plos Pathog., 20, 2024
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3X2O
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![BU of 3x2o by Molmil](/molmil-images/mine/3x2o) | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | Descriptor: | Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2M
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![BU of 3x2m by Molmil](/molmil-images/mine/3x2m) | X-ray structure of PcCel45A with cellopentaose at 0.64 angstrom resolution. | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.64 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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2L4J
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![BU of 2l4j by Molmil](/molmil-images/mine/2l4j) | Yap ww2 | Descriptor: | Yes-associated protein 2 (YAP2) | Authors: | Webb, C, Upadhyay, A, Furutani-Seiki, M, Bagby, S. | Deposit date: | 2010-10-07 | Release date: | 2010-11-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Features and Ligand Binding Properties of Tandem WW Domains from YAP and TAZ, Nuclear Effectors of the Hippo Pathway. Biochemistry, 50, 2011
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2L0W
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![BU of 2l0w by Molmil](/molmil-images/mine/2l0w) | Solution NMR structure of the N-terminal PAS domain of HERG potassium channel | Descriptor: | Potassium voltage-gated channel, subfamily H (Eag-related), member 2, ... | Authors: | Ng, C.A, Hunter, M.J, Mobli, M, King, G.F, Kuchel, P.W, Vandenberg, J.I. | Deposit date: | 2010-07-19 | Release date: | 2011-01-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The N-Terminal Tail of hERG Contains an Amphipathic alpha-Helix That Regulates Channel Deactivation PLoS ONE, 6, 2011
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3X42
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![BU of 3x42 by Molmil](/molmil-images/mine/3x42) | Crystal structure of copper amine oxidase from Arthrobacter globiformis in the presence of sodium bromide | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | Deposit date: | 2015-03-10 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.875 Å) | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions. J.Biol.Chem., 290, 2015
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3WZ8
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![BU of 3wz8 by Molmil](/molmil-images/mine/3wz8) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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1LZ4
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![BU of 1lz4 by Molmil](/molmil-images/mine/1lz4) | ENTHALPIC DESTABILIZATION OF A MUTANT HUMAN LYSOZYME LACKING A DISULFIDE BRIDGE BETWEEN CYSTEINE-77 AND CYSTEINE-95 | Descriptor: | HUMAN LYSOZYME | Authors: | Inaka, K, Matsushima, M, Kuroki, R, Taniyama, Y, Kikuchi, M. | Deposit date: | 1993-02-03 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enthalpic destabilization of a mutant human lysozyme lacking a disulfide bridge between cysteine-77 and cysteine-95. Biochemistry, 31, 1992
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2LD3
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3X0Y
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![BU of 3x0y by Molmil](/molmil-images/mine/3x0y) | Crystal structure of FMN-bound DszC from Rhodococcus erythropolis D-1 | Descriptor: | DszC, FLAVIN MONONUCLEOTIDE | Authors: | Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M. | Deposit date: | 2014-10-23 | Release date: | 2015-02-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1. Febs J., 282, 2015
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3X2P
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![BU of 3x2p by Molmil](/molmil-images/mine/3x2p) | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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2LHI
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![BU of 2lhi by Molmil](/molmil-images/mine/2lhi) | Solution structure of Ca2+/CNA1 peptide-bound yCaM | Descriptor: | CALCIUM ION, Calmodulin,Serine/threonine-protein phosphatase 2B catalytic subunit A1 | Authors: | Ogura, K, Takahashi, K, Kobashigawa, Y, Yoshida, R, Itoh, H, Yazawa, M, Inagaki, F. | Deposit date: | 2011-08-10 | Release date: | 2012-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of yeast Saccharomyces cerevisiae calmodulin in calcium- and target peptide-bound states reveal similarities and differences to vertebrate calmodulin. Genes Cells, 17, 2012
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3X31
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![BU of 3x31 by Molmil](/molmil-images/mine/3x31) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-14-epi-1a,25-Dihydroxy-19-norvitamin D3 | Descriptor: | (1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2015-01-13 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Revisiting the 7,8-cis-vitamin D3 derivatives: synthesis, evaluating the biological activity, and study of the binding configuration To be Published
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2LM7
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![BU of 2lm7 by Molmil](/molmil-images/mine/2lm7) | NMR structure of the C-terminal domain of VP7 in membrane mimicking micelles | Descriptor: | Outer capsid glycoprotein VP7 | Authors: | Elaid, S, Libersou, S, Ouldali, M, Morellet, N, Lepault, J, Bouaziz, S. | Deposit date: | 2011-11-23 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the C-terminal domain of VP7 in membrane mimicking micelles To be Published
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3XIS
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3X44
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![BU of 3x44 by Molmil](/molmil-images/mine/3x44) | Crystal structure of O-ureido-L-serine-bound K43A mutant of O-ureido-L-serine synthase | Descriptor: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, O-ureido-L-serine synthase | Authors: | Matoba, Y, Uda, N, Oda, K, Sugiyama, M. | Deposit date: | 2015-03-13 | Release date: | 2015-07-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural and mutational analyses of O-ureido-L-serine synthase necessary for D-cycloserine biosynthesis. Febs J., 282, 2015
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2LL6
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![BU of 2ll6 by Molmil](/molmil-images/mine/2ll6) | Solution NMR structure of CaM bound to iNOS CaM binding domain peptide | Descriptor: | Calmodulin, Nitric oxide synthase, inducible | Authors: | Piazza, M, Futrega, K, Spratt, D.E, Dieckmann, T, Guillemette, J.G. | Deposit date: | 2011-10-29 | Release date: | 2012-05-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Dynamics of Calmodulin (CaM) Bound to Nitric Oxide Synthase Peptides: Effects of a Phosphomimetic CaM Mutation. Biochemistry, 51, 2012
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4EFL
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![BU of 4efl by Molmil](/molmil-images/mine/4efl) | Crystal structure of H-Ras WT in complex with GppNHp (state 1) | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T. | Deposit date: | 2012-03-30 | Release date: | 2012-05-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants Febs Lett., 586, 2012
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3WY1
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![BU of 3wy1 by Molmil](/molmil-images/mine/3wy1) | Crystal structure of alpha-glucosidase | Descriptor: | (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid, Alpha-glucosidase, GLYCEROL, ... | Authors: | Shen, X, Gai, Z, Kato, K, Yao, M. | Deposit date: | 2014-08-18 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural analysis of the alpha-glucosidase HaG provides new insights into substrate specificity and catalytic mechanism Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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