7ZZS
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![BU of 7zzs by Molmil](/molmil-images/mine/7zzs) | HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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8A0B
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![BU of 8a0b by Molmil](/molmil-images/mine/8a0b) | Inhibitor binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZU
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![BU of 7zzu by Molmil](/molmil-images/mine/7zzu) | Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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1V49
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![BU of 1v49 by Molmil](/molmil-images/mine/1v49) | Solution structure of microtubule-associated protein light chain-3 | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Kouno, T, Mizuguchi, M, Tanida, I, Ueno, T, Kominami, E, Kawano, K. | Deposit date: | 2003-11-11 | Release date: | 2004-12-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of microtubule-associated protein light chain 3 and identification of its functional subdomains. J.Biol.Chem., 280, 2005
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1VFL
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![BU of 1vfl by Molmil](/molmil-images/mine/1vfl) | Adenosine deaminase | Descriptor: | Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2004-04-16 | Release date: | 2005-08-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Compound Recognition by Adenosine Deaminase Biochemistry, 44, 2005
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1WXY
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![BU of 1wxy by Molmil](/molmil-images/mine/1wxy) | |
2E2S
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![BU of 2e2s by Molmil](/molmil-images/mine/2e2s) | |
3W9F
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![BU of 3w9f by Molmil](/molmil-images/mine/3w9f) | Crystal structure of the ankyrin repeat domain of chicken TRPV4 in complex with IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Vanilloid receptor-related osmotically activated channel protein | Authors: | Itoh, Y, Hamada-nakahara, S, Suetsugu, S. | Deposit date: | 2013-04-04 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P2 Nat Commun, 5, 2014
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3W9G
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2Z83
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2ZYE
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![BU of 2zye by Molmil](/molmil-images/mine/2zye) | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | Deposit date: | 2009-01-20 | Release date: | 2009-03-24 | Last modified: | 2024-05-29 | Method: | NEUTRON DIFFRACTION (1.9 Å) | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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6L93
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![BU of 6l93 by Molmil](/molmil-images/mine/6l93) | |
3A72
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![BU of 3a72 by Molmil](/molmil-images/mine/3a72) | |
3A71
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![BU of 3a71 by Molmil](/molmil-images/mine/3a71) | |
2E2F
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5B6F
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![BU of 5b6f by Molmil](/molmil-images/mine/5b6f) | Crystal structure of the Fab fragment of an anti-Leukotriene C4 monoclonal antibody complexed with LTC4 | Descriptor: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... | Authors: | Sugahara, M, Ago, H, Saino, H, Miyano, M. | Deposit date: | 2016-05-27 | Release date: | 2017-05-31 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the Fab fragment of an anti-Leukotriene C4 monoclonal antibody complexed with LTC4 To Be Published
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1MDV
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![BU of 1mdv by Molmil](/molmil-images/mine/1mdv) | KEY ROLE OF PHENYLALANINE 20 IN CYTOCHROME C3: STRUCTURE, STABILITY AND FUNCTION STUDIES | Descriptor: | CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dolla, A, Arnoux, P, Protasevich, I, Lobachov, V, Brugna, M, Guidici-Orticoni, M.T, Haser, R, Czjzek, M, Makarov, A, Brushi, M. | Deposit date: | 1998-09-08 | Release date: | 1999-05-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Key role of phenylalanine 20 in cytochrome c3: structure, stability, and function studies. Biochemistry, 38, 1999
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2RDV
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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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1QPK
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![BU of 1qpk by Molmil](/molmil-images/mine/1qpk) | MUTANT (D193G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (MALTOTETRAOSE-FORMING AMYLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1999-05-26 | Release date: | 1999-11-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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1QI3
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![BU of 1qi3 by Molmil](/molmil-images/mine/1qi3) | MUTANT (D193N) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | Deposit date: | 1999-06-01 | Release date: | 1999-11-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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1QI5
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![BU of 1qi5 by Molmil](/molmil-images/mine/1qi5) | MUTANT (D294N) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | Deposit date: | 1999-06-03 | Release date: | 1999-11-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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1QI4
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![BU of 1qi4 by Molmil](/molmil-images/mine/1qi4) | MUTANT (E219G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | Deposit date: | 1999-06-01 | Release date: | 1999-11-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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1FLM
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![BU of 1flm by Molmil](/molmil-images/mine/1flm) | DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MIYAZAKI F) | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (FMN-BINDING PROTEIN) | Authors: | Suto, K, Kawagoe, K, Shibata, N, Morimoto, K, Higuchi, Y, Kitamura, M, Nakaya, T, Yasuoka, N. | Deposit date: | 1999-03-10 | Release date: | 2000-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | How do the x-ray structure and the NMR structure of FMN-binding protein differ? Acta Crystallogr.,Sect.D, 56, 2000
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