7OWR
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![BU of 7owr by Molmil](/molmil-images/mine/7owr) | HsNMT1 in complex with both MyrCoA and peptide GGKSFSKPR | Descriptor: | GLY-GLY-LYS-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Dian, C, Giglione, C, Meinnel, T. | Deposit date: | 2021-06-18 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol., 434, 2022
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7OWQ
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7OWU
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![BU of 7owu by Molmil](/molmil-images/mine/7owu) | HsNMT1 in complex with both CoA and Myr-ANCFSKPR peptide | Descriptor: | ALA-ASN-CYS-PHE-SER-LYS-PRO-ARG, COENZYME A, GLYCEROL, ... | Authors: | Dian, C, Giglione, C, Meinnel, T. | Deposit date: | 2021-06-18 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol., 434, 2022
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7OWO
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![BU of 7owo by Molmil](/molmil-images/mine/7owo) | HsNMT1 in complex with both MyrCoA and N-acetylated KSFSKPR peptide | Descriptor: | COENZYME A, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Dian, C, Giglione, C, Meinnel, T. | Deposit date: | 2021-06-18 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol., 434, 2022
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7OWN
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![BU of 7own by Molmil](/molmil-images/mine/7own) | HsNMT1 in complex with both MyrCoA and peptide AKSFSKPR | Descriptor: | ALA-LYS-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Dian, C, Giglione, C, Meinnel, T. | Deposit date: | 2021-06-18 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol., 434, 2022
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7OWM
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![BU of 7owm by Molmil](/molmil-images/mine/7owm) | HsNMT1 in complex with both MyrCoA and HCPA substrate peptide GKQNSKLR | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, Neuron-specific calcium-binding protein hippocalcin, ... | Authors: | Dian, C, Giglione, C, Meinnel, T. | Deposit date: | 2021-06-18 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol., 434, 2022
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4FYQ
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![BU of 4fyq by Molmil](/molmil-images/mine/4fyq) | Human aminopeptidase N (CD13) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Wong, A.H, Rini, J.M. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. J.Biol.Chem., 287, 2012
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7DSV
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![BU of 7dsv by Molmil](/molmil-images/mine/7dsv) | Structure of a human NHE1-CHP1 complex under pH 6.5 | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Calcineurin B homologous protein 1, Sodium/hydrogen exchanger 1 | Authors: | Dong, Y, Gao, Y, Li, B, Zhang, X.C, Zhao, Y. | Deposit date: | 2021-01-03 | Release date: | 2021-06-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and mechanism of the human NHE1-CHP1 complex. Nat Commun, 12, 2021
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7DSW
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![BU of 7dsw by Molmil](/molmil-images/mine/7dsw) | Structure of a human NHE1-CHP1 complex under pH 7.5 | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Sodium/hydrogen exchanger 1 | Authors: | Dong, Y, Gao, Y, Li, B, Zhang, X.C, Zhao, Y. | Deposit date: | 2021-01-03 | Release date: | 2021-06-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and mechanism of the human NHE1-CHP1 complex. Nat Commun, 12, 2021
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7DF6
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![BU of 7df6 by Molmil](/molmil-images/mine/7df6) | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | Authors: | Ghosh, K, Kumar, A. | Deposit date: | 2020-11-06 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J.Med.Chem., 64, 2021
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4G1Q
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![BU of 4g1q by Molmil](/molmil-images/mine/4g1q) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2012-07-11 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Nat Chem, 5, 2013
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4G45
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![BU of 4g45 by Molmil](/molmil-images/mine/4g45) | Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine | Descriptor: | 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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7DF5
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![BU of 7df5 by Molmil](/molmil-images/mine/7df5) | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | Authors: | Ghosh, K, Kumar, A. | Deposit date: | 2020-11-06 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J.Med.Chem., 64, 2021
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7DSX
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![BU of 7dsx by Molmil](/molmil-images/mine/7dsx) | Structure of a human NHE1-CHP1 complex under pH 7.5, bound by cariporide | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Calcineurin B homologous protein 1, N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide, ... | Authors: | Dong, Y, Gao, Y, Li, B, Zhang, X.C, Zhao, Y. | Deposit date: | 2021-01-03 | Release date: | 2021-06-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and mechanism of the human NHE1-CHP1 complex. Nat Commun, 12, 2021
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4G46
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![BU of 4g46 by Molmil](/molmil-images/mine/4g46) | Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate | Descriptor: | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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7D0P
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7D0Q
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7D0O
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![BU of 7d0o by Molmil](/molmil-images/mine/7d0o) | Crystal structure of human HBO1-BRPF2 in apo form | Descriptor: | 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Li, W, Ding, J. | Deposit date: | 2020-09-11 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | HBO1 is a versatile histone acyltransferase critical for promoter histone acylations. Nucleic Acids Res., 49, 2021
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7D0S
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7D0R
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5E79
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![BU of 5e79 by Molmil](/molmil-images/mine/5e79) | Macromolecular diffractive imaging using imperfect crystals | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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6ZXR
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4GAZ
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![BU of 4gaz by Molmil](/molmil-images/mine/4gaz) | Crystal Structure of a Jumonji Domain-containing Protein JMJD5 | Descriptor: | Lysine-specific demethylase 8, N-OXALYLGLYCINE, NICKEL (II) ION | Authors: | Wang, H, Zhou, X, Zhang, X, Tao, Y, Chen, N, Zang, J. | Deposit date: | 2012-07-26 | Release date: | 2013-08-14 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structure of a Jumonji Domain-containing Protein JMJD5 To be Published
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5EDK
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![BU of 5edk by Molmil](/molmil-images/mine/5edk) | Crystal structure of prothrombin deletion mutant residues 146-167 ( Form II ). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.214 Å) | Cite: | How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
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7DRT
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![BU of 7drt by Molmil](/molmil-images/mine/7drt) | Human Wntless in complex with Wnt3a | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | Deposit date: | 2020-12-29 | Release date: | 2021-07-14 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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