3VM8
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3VOW
| Crystal Structure of the Human APOBEC3C having HIV-1 Vif-binding Interface | Descriptor: | CHLORIDE ION, Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION | Authors: | Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y. | Deposit date: | 2012-02-22 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The APOBEC3C crystal structure and the interface for HIV-1 Vif binding. Nat.Struct.Mol.Biol., 19, 2012
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6UQD
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6UKD
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6E69
| Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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1J18
| Crystal Structure of a Beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltose | Descriptor: | ACETIC ACID, Beta-amylase, CALCIUM ION, ... | Authors: | Miyake, H, Kurisu, G, Kusunoki, M, Nishimura, S, Kitamura, S, Nitta, Y. | Deposit date: | 2002-12-02 | Release date: | 2003-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Catalytic Site Mutant of beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltopentaose BIOCHEMISTRY, 42, 2003
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1ITC
| Beta-Amylase from Bacillus cereus var. mycoides Complexed with Maltopentaose | Descriptor: | ACETIC ACID, Beta-Amylase, CALCIUM ION, ... | Authors: | Miyake, H, Kurisu, G, Kusunoki, M, Nishimura, S, Kitamura, S, Nitta, Y. | Deposit date: | 2002-01-17 | Release date: | 2003-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of a Catalytic Site Mutant of beta-Amylase from Bacillus cereus var. mycoides Cocrystallized with Maltopentaose BIOCHEMISTRY, 42, 2003
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3WNM
| D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoheptaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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3WNL
| D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltohexaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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3WNN
| D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltooctaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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3WNP
| D308A, F268V, D469Y, A513V, and Y515S quintuple mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoundecaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, R, Suzuki, N, Fujimoto, Z, Momma, M, Kimura, K, Kitamura, S, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular engineering of cycloisomaltooligosaccharide glucanotransferase from Bacillus circulans T-3040: structural determinants for the reaction product size and reactivity. Biochem.J., 467, 2015
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8SD4
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | Descriptor: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Kadam, R.U, Zhu, X, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SD2
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | Descriptor: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQL
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | Descriptor: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQQ
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-19 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQM
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime | Descriptor: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQN
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R | Descriptor: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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5HKA
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5HKB
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5HK9
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9C66
| Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B | Descriptor: | 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ... | Authors: | LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A. | Deposit date: | 2024-06-07 | Release date: | 2024-08-28 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights into the Interaction Landscape of the EVH1 Domain of Mena. Biochemistry, 63, 2024
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6WCR
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7DBJ
| Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ... | Authors: | Sogabe, S, Miwa, M. | Deposit date: | 2020-10-20 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B. Sci Rep, 11, 2021
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7DBK
| Crystal structure of human LDHB in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain | Authors: | Sogabe, S, Miwa, M. | Deposit date: | 2020-10-20 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B. Sci Rep, 11, 2021
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6LX2
| Potato D-enzyme complexed with CA26 | Descriptor: | 4-alpha-glucanotransferase, chloroplastic/amyloplastic, 4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose, ... | Authors: | Unno, H, Imamura, K. | Deposit date: | 2020-02-10 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato. Protein Sci., 29, 2020
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