3F3C
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![BU of 3f3c by Molmil](/molmil-images/mine/3f3c) | Crystal structure of LeuT bound to 4-Fluoro-L-Phenylalanine and sodium | Descriptor: | 4-FLUORO-L-PHENYLALANINE, SODIUM ION, Transporter, ... | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | Deposit date: | 2008-10-30 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation. Science, 322, 2008
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8JMN
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![BU of 8jmn by Molmil](/molmil-images/mine/8jmn) | Cryo-EM structure of the gastric proton pump with bound DQ-21 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-06-05 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.26 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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4GN9
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![BU of 4gn9 by Molmil](/molmil-images/mine/4gn9) | mouse SMP30/GNL-glucose complex | Descriptor: | CALCIUM ION, Regucalcin, SULFATE ION, ... | Authors: | Aizawa, S, Senda, M, Harada, A, Maruyama, N, Ishida, T, Aigaki, T, Ishigami, A, Senda, T. | Deposit date: | 2012-08-17 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase Plos One, 8, 2013
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6K55
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![BU of 6k55 by Molmil](/molmil-images/mine/6k55) | Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide | Descriptor: | Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | Deposit date: | 2019-05-28 | Release date: | 2020-06-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.883 Å) | Cite: | A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data To Be Published
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4ZU6
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![BU of 4zu6 by Molmil](/molmil-images/mine/4zu6) | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha-aminoacrylate reaction intermediate and Peptide inhibitor at the resolution of 2.25A | Descriptor: | C-terminal peptide from Serine acetyltransferase, Cysteine synthase, O-ACETYLSERINE, ... | Authors: | Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S. | Deposit date: | 2015-05-15 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with pre-reactive o-acetyl serine and peptide inhibitor To Be Published
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1QCM
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![BU of 1qcm by Molmil](/molmil-images/mine/1qcm) | AMYLOID BETA PEPTIDE (25-35), NMR, 20 STRUCTURES | Descriptor: | AMYLOID BETA PEPTIDE | Authors: | Kohno, T, Kobayashi, K, Maeda, T, Sato, K, Takashima, A. | Deposit date: | 1996-07-19 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structures of the amyloid beta peptide (25-35) in membrane-mimicking environment. Biochemistry, 35, 1996
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1IPB
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![BU of 1ipb by Molmil](/molmil-images/mine/1ipb) | CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GPPPA | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | Authors: | Tomoo, K, Shen, X, Okabe, K, Nozoe, Y, Fukuhara, S, Morino, S, Ishida, T, Taniguchi, T, Hasegawa, H, Terashima, A, Sasaki, M, Katsuya, Y, Kitamura, K, Miyoshi, H, Ishikawa, M, Miura, K. | Deposit date: | 2001-05-08 | Release date: | 2002-05-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and
P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic
initiation factor 4E: biological importance of the C-terminal flexible region BIOCHEM.J., 362, 2002
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8WDV
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![BU of 8wdv by Molmil](/molmil-images/mine/8wdv) | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by Ca2+-DEAE | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | Deposit date: | 2023-09-16 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum. Commun Biol, 7, 2024
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8WDU
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![BU of 8wdu by Molmil](/molmil-images/mine/8wdu) | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by sucrose density | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | Deposit date: | 2023-09-16 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum. Commun Biol, 7, 2024
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1IPC
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![BU of 1ipc by Molmil](/molmil-images/mine/1ipc) | CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GTP | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E | Authors: | Tomoo, K, Shen, X, Okabe, K, Nozoe, Y, Fukuhara, S, Morino, S, Ishida, T, Taniguchi, T, Hasegawa, H, Terashima, A, Sasaki, M, Katsuya, Y, Kitamura, K, Miyoshi, H, Ishikawa, M, Miura, K. | Deposit date: | 2001-05-08 | Release date: | 2002-05-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and
P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic
initiation factor 4E: biological importance of the C-terminal flexible region BIOCHEM.J., 362, 2002
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3HPT
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![BU of 3hpt by Molmil](/molmil-images/mine/3hpt) | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | Deposit date: | 2009-06-04 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1IST
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![BU of 1ist by Molmil](/molmil-images/mine/1ist) | |
3I7V
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![BU of 3i7v by Molmil](/molmil-images/mine/3i7v) | Crystal structure of AP4A hydrolase complexed with AP4A (ATP) (aq_158) from Aquifex aeolicus Vf5 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, AP4A hydrolase, ... | Authors: | Jeyakanthan, J, Kanaujia, S.P, Nakagawa, N, Sekar, K, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-07-09 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Free and ATP-bound structures of Ap(4)A hydrolase from Aquifex aeolicus V5 Acta Crystallogr.,Sect.D, 66, 2010
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3I7U
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![BU of 3i7u by Molmil](/molmil-images/mine/3i7u) | Crystal structure of AP4A hydrolase (aq_158) from Aquifex aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AP4A hydrolase, ... | Authors: | Jeyakanthan, J, Kanaujia, S.P, Nakagawa, N, Sekar, K, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-07-09 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Free and ATP-bound structures of Ap(4)A hydrolase from Aquifex aeolicus V5 Acta Crystallogr.,Sect.D, 66, 2010
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7EAY
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![BU of 7eay by Molmil](/molmil-images/mine/7eay) | DNA containing Cu(II)-mediated 4-N-carboxymethylcytosine base pairs | Descriptor: | COBALT (II) ION, COBALT HEXAMMINE(III), COPPER (II) ION, ... | Authors: | Kondo, J, Terashima, A, Yoshimura, A, Tada, Y, Ono, A. | Deposit date: | 2021-03-08 | Release date: | 2022-03-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | DNA containing Cu(II)-mediated 4-N-carboxymethylcytosine base pairs To Be Published
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3G5C
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![BU of 3g5c by Molmil](/molmil-images/mine/3g5c) | Structural and biochemical studies on the ectodomain of human ADAM22 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 22, CALCIUM ION | Authors: | Liu, H, Shim, A, Chen, X, He, X. | Deposit date: | 2009-02-04 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural and biochemical studies on the ectodomain of human ADAM22 J.Biol.Chem., 2009
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3QFZ
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![BU of 3qfz by Molmil](/molmil-images/mine/3qfz) | Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Complexed with Sulfate and 1-Deoxynojirimycin | Descriptor: | 1-DEOXYNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellobiose Phosphorylase, ... | Authors: | Fushinobu, S, Hidaka, M, Hayashi, A.M, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2011-01-24 | Release date: | 2011-09-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Interactions between glycoside hydrolase family 94 cellobiose phosphorylase and glucosidase inhibitors J.Appl.Glyosci., 58, 2011
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5OL8
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![BU of 5ol8 by Molmil](/molmil-images/mine/5ol8) | Structure of human mitochondrial transcription elongation factor (TEFM) C-terminal domain | Descriptor: | GLYCEROL, Transcription elongation factor, mitochondrial | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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2IRP
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![BU of 2irp by Molmil](/molmil-images/mine/2irp) | Crystal structure of the l-fuculose-1-phosphate aldolase (aq_1979) from aquifex aeolicus VF5 | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Putative aldolase class 2 protein aq_1979 | Authors: | Jeyakanthan, J, Gayathri, D, Yogavel, M, Velmurugan, D, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-10-16 | Release date: | 2007-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the l-fuculose-1-phosphate aldolase (aq_1979) from aquifex aeolicus VF5 To be Published
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2IS8
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![BU of 2is8 by Molmil](/molmil-images/mine/2is8) | Crystal structure of the Molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 | Descriptor: | FORMIC ACID, Molybdopterin biosynthesis enzyme, MoaB | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-10-16 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 To be Published
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2IEX
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![BU of 2iex by Molmil](/molmil-images/mine/2iex) | Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from Geobacillus kaustophilus HTA426 | Descriptor: | Dihydroxynapthoic acid synthetase | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, BaBa, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-19 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from Geobacillus kaustophilus HTA426 To be Published
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2IDE
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![BU of 2ide by Molmil](/molmil-images/mine/2ide) | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 | Descriptor: | Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-15 | Release date: | 2007-09-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 To be Published
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6MRG
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![BU of 6mrg by Molmil](/molmil-images/mine/6mrg) | FAAH bound to non covalent inhibitor | Descriptor: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | Authors: | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | Deposit date: | 2018-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14, 2018
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2III
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![BU of 2iii by Molmil](/molmil-images/mine/2iii) | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5 | Descriptor: | CALCIUM ION, MAGNESIUM ION, S-adenosylmethionine decarboxylase proenzyme | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-28 | Release date: | 2007-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5 To be Published
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3K9X
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![BU of 3k9x by Molmil](/molmil-images/mine/3k9x) | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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