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5VVK
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Cas1-Cas2 bound to full-site mimic
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*CP*CP*AP*CP*CP*AP*GP*TP*G)-3'), ...
著者Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
登録日2017-05-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the CRISPR genome integration complex.
Science, 357, 2017
1DXD
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BU of 1dxd by Molmil
Photolyzed CO complex of Myoglobin Mb-YQR at 20K
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I.
登録日2000-01-03
公開日2000-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Role of Cavities in Protein Dynamics: Crystal Structure of a Photolytic Intermediate of a Mutant Myoglobin.
Proc.Natl.Acad.Sci.USA, 97, 2000
3LB3
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BU of 3lb3 by Molmil
Two-site competitive inhibition in dehaloperoxidase-hemoglobin
分子名称: 4-chlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G.
登録日2010-01-07
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
3LYI
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BU of 3lyi by Molmil
PWWP Domain of Human Bromodomain-Containing Protein 1
分子名称: Bromodomain-containing protein 1, CYSTEINESULFONIC ACID
著者Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-02-26
公開日2010-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
1W7G
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BU of 1w7g by Molmil
Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107
分子名称: HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN
著者Remiche, J, Sauvage, E, Herman, R, Charlier, P.
登録日2004-09-02
公開日2006-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials.
Org.Biomol.Chem., 3, 2005
1DWS
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BU of 1dws by Molmil
PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I.
登録日1999-12-11
公開日2000-03-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
3MOU
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BU of 3mou by Molmil
Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
分子名称: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者de Serrano, V.S, Franzen, S.
登録日2010-04-23
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
To be Published
1CNX
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BU of 1cnx by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
1CNY
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BU of 1cny by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
4JXH
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BU of 4jxh by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH 8.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION
著者Hoh, F, Rouhana, J.
登録日2013-03-28
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors
J.Med.Chem., 56, 2013
3JZA
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BU of 3jza by Molmil
Crystal structure of human Rab1b in complex with the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: PHOSPHATE ION, Ras-related protein Rab-1B, Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
7NBN
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BU of 7nbn by Molmil
Allostery through DNA drives phenotype switching
分子名称: AddAB promoter
著者Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H.
登録日2021-01-27
公開日2021-04-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
1VFR
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BU of 1vfr by Molmil
THE MAJOR NAD(P)H:FMN OXIDOREDUCTASE FROM VIBRIO FISCHERI
分子名称: FLAVIN MONONUCLEOTIDE, NAD(P)H:FMN OXIDOREDUCTASE
著者Koike, H, Sasaki, H, Kobori, T, Zenno, S, Saigo, K, Murphy, M.E.P, Adman, E.T, Tanokura, M.
登録日1998-01-09
公開日1999-02-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 A crystal structure of the major NAD(P)H:FMN oxidoreductase of a bioluminescent bacterium, Vibrio fischeri: overall structure, cofactor and substrate-analog binding, and comparison with related flavoproteins.
J.Mol.Biol., 280, 1998
5UKJ
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BU of 5ukj by Molmil
The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR
分子名称: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A, Mamo, M.
登録日2017-01-23
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
3JZ9
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BU of 3jz9 by Molmil
Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
5WB6
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BU of 5wb6 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3MO8
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BU of 3mo8 by Molmil
PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide
分子名称: Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin
著者Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-04-22
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3L42
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BU of 3l42 by Molmil
PWWP domain of human bromodomain and PHD finger containing protein 1
分子名称: Peregrin, UNKNOWN ATOM OR ION
著者Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2009-12-18
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
5EQY
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BU of 5eqy by Molmil
Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)
分子名称: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
1MHL
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BU of 1mhl by Molmil
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Fenna, R.E, Zeng, J, Davey, C.
登録日1995-06-09
公開日1996-01-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the green heme in myeloperoxidase.
Arch.Biochem.Biophys., 316, 1995
7NFV
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BU of 7nfv by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
登録日2021-02-07
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
3MYN
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BU of 3myn by Molmil
Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S.
登録日2010-05-10
公開日2011-04-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
3KUN
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BU of 3kun by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
7MNH
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BU of 7mnh by Molmil
V59W mutant of Dehaloperoxidase A from Amphitrite ornata treated with Fluoride
分子名称: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Shay, M.R, Thompson, M.K, Franzen, S.
登録日2021-04-30
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A new inhibition mechanism in the multifunctional catalytic hemoglobin dehaloperoxidase as revealed by the DHP A(V59W) mutant: A spectroscopic and crystallographic study
J Porphyr Phthalocyanines, 25, 2021
4L5M
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Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH6.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION
著者Hoh, F, Rouhana, J.
登録日2013-06-11
公開日2013-10-30
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.
J.Med.Chem., 56, 2013

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