5QD4
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![BU of 5qd4 by Molmil](/molmil-images/mine/5qd4) | Crystal structure of BACE complex with BMC023 | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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4DKP
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![BU of 4dkp by Molmil](/molmil-images/mine/4dkp) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | 著者 | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | 登録日 | 2012-02-03 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7978 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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4DFX
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![BU of 4dfx by Molmil](/molmil-images/mine/4dfx) | Crystal structure of myristoylated K7C catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP | 分子名称: | GLYCEROL, MAGNESIUM ION, MYRISTIC ACID, ... | 著者 | Bastidas, A.C, Steichen, J.M, Taylor, S.S. | 登録日 | 2012-01-24 | 公開日 | 2012-06-06 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase. J.Mol.Biol., 422, 2012
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4DKQ
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![BU of 4dkq by Molmil](/molmil-images/mine/4dkq) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | 著者 | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | 登録日 | 2012-02-03 | 公開日 | 2012-05-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.888 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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5QDB
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![BU of 5qdb by Molmil](/molmil-images/mine/5qdb) | Crystal structure of BACE complex with BMC002 | 分子名称: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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4E0T
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![BU of 4e0t by Molmil](/molmil-images/mine/4e0t) | Crystal structure of CdpNPT in its unbound state | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclic dipeptide N-prenyltransferase, ... | 著者 | Schuller, J.M, Zocher, G, Stehle, T. | 登録日 | 2012-03-05 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity. J.Mol.Biol., 422, 2012
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4FYS
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![BU of 4fys by Molmil](/molmil-images/mine/4fys) | Human aminopeptidase N (CD13) in complex with angiotensin IV | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | 著者 | Wong, A.H, Rini, J.M. | 登録日 | 2012-07-05 | 公開日 | 2012-09-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | 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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4GDO
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![BU of 4gdo by Molmil](/molmil-images/mine/4gdo) | Structure of a fragment of the rod domain of plectin | 分子名称: | Plectin | 著者 | De Pereda, J.M, Buey, R.M, Uson, I, Sammito, M.D, De Marino, I. | 登録日 | 2012-08-01 | 公開日 | 2013-09-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Exploiting tertiary structure through local folds for crystallographic phasing. Nat.Methods, 10, 2013
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4GE1
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![BU of 4ge1 by Molmil](/molmil-images/mine/4ge1) | Structure of the tryptamine complex of the amine binding protein of Rhodnius prolixus | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, Biogenic amine-binding protein, GLYCEROL | 著者 | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | 登録日 | 2012-08-01 | 公開日 | 2013-01-02 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi. Acta Crystallogr.,Sect.D, 69, 2013
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4GET
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![BU of 4get by Molmil](/molmil-images/mine/4get) | Crystal structure of biogenic amine binding protein from Rhodnius prolixus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Biogenic amine-binding protein | 著者 | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | 登録日 | 2012-08-02 | 公開日 | 2013-01-02 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi. Acta Crystallogr.,Sect.D, 69, 2013
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4GLQ
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![BU of 4glq by Molmil](/molmil-images/mine/4glq) | Crystal Structure of the blue-light absorbing form of the Thermosynechococcus elongatus PixJ GAF-domain | 分子名称: | Methyl-accepting chemotaxis protein, Phycoviolobilin, blue light-absorbing form | 著者 | Burgie, E.S, Walker, J.M, Phillips Jr, G.N, Vierstra, R.D. | 登録日 | 2012-08-14 | 公開日 | 2013-01-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | 主引用文献 | A Photo-Labile Thioether Linkage to Phycoviolobilin Provides the Foundation for the Blue/Green Photocycles in DXCF-Cyanobacteriochromes. Structure, 21, 2013
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4FYT
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![BU of 4fyt by Molmil](/molmil-images/mine/4fyt) | Human aminopeptidase N (CD13) in complex with amastatin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMASTATIN, ... | 著者 | Wong, A.H, Rini, J.M. | 登録日 | 2012-07-05 | 公開日 | 2012-09-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 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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4FX7
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![BU of 4fx7 by Molmil](/molmil-images/mine/4fx7) | |
4E0U
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![BU of 4e0u by Molmil](/molmil-images/mine/4e0u) | Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione | 分子名称: | (3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 1,2-ETHANEDIOL, Cyclic dipeptide N-prenyltransferase, ... | 著者 | Schuller, J.M, Zocher, G, Stehle, T. | 登録日 | 2012-03-05 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity. J.Mol.Biol., 422, 2012
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3BOG
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![BU of 3bog by Molmil](/molmil-images/mine/3bog) | Snow Flea Antifreeze Protein Quasi-racemate | 分子名称: | 6.5 kDa glycine-rich antifreeze protein, UNKNOWN LIGAND | 著者 | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | 登録日 | 2007-12-17 | 公開日 | 2008-09-23 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers J.Am.Chem.Soc., 130, 2008
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4DPP
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![BU of 4dpp by Molmil](/molmil-images/mine/4dpp) | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana | 分子名称: | Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION | 著者 | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | 登録日 | 2012-02-14 | 公開日 | 2012-07-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana Plos One, 7, 2012
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4DPQ
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![BU of 4dpq by Molmil](/molmil-images/mine/4dpq) | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine | 分子名称: | Dihydrodipicolinate synthase 2, chloroplastic, LYSINE, ... | 著者 | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | 登録日 | 2012-02-14 | 公開日 | 2012-07-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana Plos One, 7, 2012
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4F2M
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![BU of 4f2m by Molmil](/molmil-images/mine/4f2m) | Crystal structure of a TGEV coronavirus Spike fragment in complex with the TGEV neutralizing monoclonal antibody 1AF10 | 分子名称: | 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, ... | 著者 | Reguera, J, Santiago, C, Mudgal, G, Ordono, D, Enjuanes, L, Casasnovas, J.M. | 登録日 | 2012-05-08 | 公開日 | 2012-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural bases of coronavirus attachment to host aminopeptidase N and its inhibition by neutralizing antibodies. Plos Pathog., 8, 2012
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4F5C
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![BU of 4f5c by Molmil](/molmil-images/mine/4f5c) | Crystal structure of the spike receptor binding domain of a porcine respiratory coronavirus in complex with the pig aminopeptidase N ectodomain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | 著者 | Santiago, C, Reguera, J, Gaurav, M, Ordono, D, Enjuanes, L, Casasnovas, J.M. | 登録日 | 2012-05-13 | 公開日 | 2012-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural bases of coronavirus attachment to host aminopeptidase N and its inhibition by neutralizing antibodies. Plos Pathog., 8, 2012
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4DG2
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![BU of 4dg2 by Molmil](/molmil-images/mine/4dg2) | |
4DWD
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![BU of 4dwd by Molmil](/molmil-images/mine/4dwd) | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | 著者 | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-02-24 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium To be Published
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4DG0
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![BU of 4dg0 by Molmil](/molmil-images/mine/4dg0) | Crystal structure of myristoylated WT catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP | 分子名称: | MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Bastidas, A.C, Steichen, J.M, Taylor, S.S. | 登録日 | 2012-01-24 | 公開日 | 2012-06-06 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase. J.Mol.Biol., 422, 2012
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4G0F
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![BU of 4g0f by Molmil](/molmil-images/mine/4g0f) | Crystal structure of the complex of a human telomeric repeat G-quadruplex and N-methyl mesoporphyrin IX (P6) | 分子名称: | DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N-METHYLMESOPORPHYRIN, POTASSIUM ION | 著者 | Nicoludis, J.M, Miller, S.T, Jeffrey, P, Lawton, T.J, Rosenzweig, A.C, Yatsunyk, L.A. | 登録日 | 2012-07-09 | 公開日 | 2012-12-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA. J.Am.Chem.Soc., 134, 2012
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4G27
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![BU of 4g27 by Molmil](/molmil-images/mine/4g27) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea | 分子名称: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | 著者 | Zhang, M, Pascal, J.M, Zhang, J.-F. | 登録日 | 2012-07-11 | 公開日 | 2012-09-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels. Nat Commun, 3, 2012
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4FYR
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![BU of 4fyr by Molmil](/molmil-images/mine/4fyr) | Human aminopeptidase N (CD13) in complex with bestatin | 分子名称: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wong, A.H, Rini, J.M. | 登録日 | 2012-07-05 | 公開日 | 2012-09-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | 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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