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6DW2
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BU of 6dw2 by Molmil
Structure of the 6078 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 6078 Fab heavy chain, 6078 Fab light chain, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
7YV1
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BU of 7yv1 by Molmil
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
7YUZ
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BU of 7yuz by Molmil
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
7P6T
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BU of 7p6t by Molmil
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
7P6S
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BU of 7p6s by Molmil
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
7P6R
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BU of 7p6r by Molmil
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
1B5Z
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BU of 1b5z by Molmil
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
7VGU
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BU of 7vgu by Molmil
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
7VGT
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BU of 7vgt by Molmil
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
7VGV
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BU of 7vgv by Molmil
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
8HEW
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BU of 8hew by Molmil
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
7XM1
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BU of 7xm1 by Molmil
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
7VTH
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BU of 7vth by Molmil
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
7VU6
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BU of 7vu6 by Molmil
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
8GV1
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BU of 8gv1 by Molmil
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
8GV2
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BU of 8gv2 by Molmil
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
8GUZ
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BU of 8guz by Molmil
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
8GV0
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BU of 8gv0 by Molmil
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
8W6X
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BU of 8w6x by Molmil
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
6M5A
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BU of 6m5a by Molmil
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
1B5U
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BU of 1b5u by Molmil
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
1B5V
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BU of 1b5v by Molmil
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
1B5W
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BU of 1b5w by Molmil
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
8DOY
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BU of 8doy by Molmil
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
1B5X
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BU of 1b5x by Molmil
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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