6DW2
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7YV1
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![BU of 7yv1 by Molmil](/molmil-images/mine/7yv1) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7YUZ
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![BU of 7yuz by Molmil](/molmil-images/mine/7yuz) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7P6T
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![BU of 7p6t by Molmil](/molmil-images/mine/7p6t) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6S
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![BU of 7p6s by Molmil](/molmil-images/mine/7p6s) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6R
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![BU of 7p6r by Molmil](/molmil-images/mine/7p6r) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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1B5Z
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![BU of 1b5z by Molmil](/molmil-images/mine/1b5z) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS | Descriptor: | LYSOZYME | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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7VGU
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![BU of 7vgu by Molmil](/molmil-images/mine/7vgu) | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion | Descriptor: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2021-09-18 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGT
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![BU of 7vgt by Molmil](/molmil-images/mine/7vgt) | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3: resting state structure with bromide ion | Descriptor: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2021-09-18 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGV
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![BU of 7vgv by Molmil](/molmil-images/mine/7vgv) | Anion free form of light-driven chloride ion-pumping rhodopsin, NM-R3, structure determined by serial femtosecond crystallography at SACLA | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, HEXADECANE, ... | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2021-09-18 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers. Proc.Natl.Acad.Sci.USA, 119, 2022
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8HEW
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![BU of 8hew by Molmil](/molmil-images/mine/8hew) | Potato 14-3-3 St14f | Descriptor: | 14-3-3 protein, StFDL1 peptide | Authors: | Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C. | Deposit date: | 2022-11-08 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening. Plant J., 112, 2022
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7XM1
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![BU of 7xm1 by Molmil](/molmil-images/mine/7xm1) | Cryo-EM structure of mTIP60-Ba (metal-ion induced TIP60 (K67E) complex with barium ions | Descriptor: | BARIUM ION, TIP60 K67E mutant | Authors: | Ohara, N, Kawakami, N, Arai, R, Adachi, N, Moriya, T, Kawasaki, M, Miyamoto, K. | Deposit date: | 2022-04-24 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Reversible Assembly of an Artificial Protein Nanocage Using Alkaline Earth Metal Ions. J.Am.Chem.Soc., 145, 2023
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7VTH
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![BU of 7vth by Molmil](/molmil-images/mine/7vth) | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | Authors: | Yamamoto, S, Tachibana, Y. | Deposit date: | 2021-10-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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7VU6
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![BU of 7vu6 by Molmil](/molmil-images/mine/7vu6) | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | Deposit date: | 2021-11-01 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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8GV1
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![BU of 8gv1 by Molmil](/molmil-images/mine/8gv1) | Crystal structure of anti-FX IgG fab with FAST-Ig mutations | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ... | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.186 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GV2
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![BU of 8gv2 by Molmil](/molmil-images/mine/8gv2) | Crystal structure of anti-FX IgG fab without FAST-Ig mutations | Descriptor: | 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GUZ
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![BU of 8guz by Molmil](/molmil-images/mine/8guz) | Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations | Descriptor: | 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GV0
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![BU of 8gv0 by Molmil](/molmil-images/mine/8gv0) | Crystal structure of anti-FIXa IgG fab without FAST-Ig mutations | Descriptor: | Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.192 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8W6X
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![BU of 8w6x by Molmil](/molmil-images/mine/8w6x) | Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Hiromoto, T, Tamada, T. | Deposit date: | 2023-08-30 | Release date: | 2023-09-13 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase. Chem Sci, 14, 2023
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6M5A
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![BU of 6m5a by Molmil](/molmil-images/mine/6m5a) | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | Descriptor: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | Authors: | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | Deposit date: | 2020-03-10 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121. Plos One, 15, 2020
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1B5U
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![BU of 1b5u by Molmil](/molmil-images/mine/1b5u) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANT | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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1B5V
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![BU of 1b5v by Molmil](/molmil-images/mine/1b5v) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS | Descriptor: | CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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1B5W
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![BU of 1b5w by Molmil](/molmil-images/mine/1b5w) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS | Descriptor: | CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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8DOY
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![BU of 8doy by Molmil](/molmil-images/mine/8doy) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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1B5X
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![BU of 1b5x by Molmil](/molmil-images/mine/1b5x) | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and x-ray analysis of six ser->ala mutants | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1999-01-11 | Release date: | 1999-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants. Biochemistry, 38, 1999
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