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6LKE
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BU of 6lke by Molmil
in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening
分子名称: 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mimasu, S, Yamagishi, H, Kiyohara, M, Hupp, D.C, Liu, J, Kakefuda, K, Okuda, T.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition.
Commun Biol, 4, 2021
4EN4
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BU of 4en4 by Molmil
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Safo, M.K, Musayev, F.N, Gandhi, A.K.
登録日2012-04-12
公開日2012-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
2PNC
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BU of 2pnc by Molmil
Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine
分子名称: 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L.
登録日2007-04-24
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences
Mol.Pharmacol., 73, 2008
7SV2
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BU of 7sv2 by Molmil
Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin
分子名称: (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M, Johnson, E.F.
登録日2021-11-18
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5.
J.Biol.Chem., 298, 2022
1ACB
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BU of 1acb by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN, Eglin C
著者Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P.
登録日1991-11-08
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution.
J.Mol.Biol., 225, 1992
7BN7
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BU of 7bn7 by Molmil
Crystal structure of ene-reductase OYE2 from S. cerevisiae
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, OYE2 isoform 1
著者Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
登録日2021-01-21
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BO0
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BU of 7bo0 by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone
分子名称: 5-methyl-3~{H}-furan-2-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
著者Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
登録日2021-01-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BN6
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BU of 7bn6 by Molmil
Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone
分子名称: (2~{R})-2-methyl-2~{H}-furan-5-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
著者Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
登録日2021-01-21
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BLF
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BU of 7blf by Molmil
Crystal structure of ene-reductase OYE4 from Botryotinia fuckeliana (BfOYE4)
分子名称: FLAVIN MONONUCLEOTIDE, FORMIC ACID, Oxidored_FMN domain-containing protein
著者Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
登録日2021-01-18
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7ERO
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BU of 7ero by Molmil
Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3
分子名称: D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
7ERN
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BU of 7ern by Molmil
Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3
分子名称: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
7ERM
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BU of 7erm by Molmil
Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3
分子名称: D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
1B01
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BU of 1b01 by Molmil
TRANSCRIPTIONAL REPRESSOR COPG/DNA COMPLEX
分子名称: DNA (5'-D(*CP*CP*CP*GP*TP*GP*CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*GP*CP*AP*TP*TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*G)-3'), TRANSCRIPTIONAL REPRESSOR COPG
著者Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M.
登録日1999-11-15
公開日1999-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator.
EMBO J., 17, 1998
1AOH
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BU of 1aoh by Molmil
SINGLE COHESIN DOMAIN FROM THE SCAFFOLDING PROTEIN CIPA OF THE CLOSTRIDIUM THERMOCELLUM CELLULOSOME
分子名称: Cellulosomal-scaffolding protein A
著者Alzari, P.M, Tavares, G.
登録日1997-07-03
公開日1998-07-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of a type I cohesin domain at 1.7 A resolution.
J.Mol.Biol., 273, 1997
7CR6
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BU of 7cr6 by Molmil
Synechocystis Cas1-Cas2/prespacer binary complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
著者Yu, Y, Chen, Q.
登録日2020-08-12
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
7TI3
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BU of 7ti3 by Molmil
[T:Hg2+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2022-01-12
公開日2023-02-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.79 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
1B00
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BU of 1b00 by Molmil
PHOB RECEIVER DOMAIN FROM ESCHERICHIA COLI
分子名称: PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
著者Sola, M, Gomis-Ruth, F.X, Serrano, L, Gonzalez, A, Coll, M.
登録日1998-11-15
公開日1999-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Three-dimensional crystal structure of the transcription factor PhoB receiver domain.
J.Mol.Biol., 285, 1999
5HWP
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BU of 5hwp by Molmil
MvaS with acetylated Cys115 in complex with coenzyme A
分子名称: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
著者Bock, T, Kasten, J, Blankenfeldt, W.
登録日2016-01-29
公開日2016-05-11
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
1B1C
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BU of 1b1c by Molmil
CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH-CYTOCHROME P450 REDUCTASE)
著者Zhao, Q, Modi, S, Smith, G, Paine, M, Mcdonagh, P.D, Wolf, C.R, Tew, D, Lian, L.-Y, Roberts, G.C.K, Driessen, H.P.C.
登録日1998-11-19
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of the FMN-binding domain of human cytochrome P450 reductase at 1.93 A resolution.
Protein Sci., 8, 1999
5HWR
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BU of 5hwr by Molmil
MvaS in complex with coenzyme A
分子名称: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
著者Bock, T, Kasten, J, Blankenfeldt, W.
登録日2016-01-29
公開日2016-05-11
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
7UXO
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BU of 7uxo by Molmil
Structure of PDL1 in complex with FP30790, a Helicon Polypeptide
分子名称: AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UYK
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BU of 7uyk by Molmil
Structure of RNF31 in complex with FP06655, a Helicon Polypeptide
分子名称: AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06655, ...
著者Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J.
登録日2022-05-06
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UWI
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BU of 7uwi by Molmil
Structure of beta-catenin in complex with FP01567, a Helicon Polypeptide
分子名称: Catenin beta-1, GLYCEROL, Helicon Polypeptide FP01567, ...
著者Brennan, M, Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Verdine, G, McGee, J.
登録日2022-05-03
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UWO
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BU of 7uwo by Molmil
Structure of beta-catenin in complex with FP05874, a Helicon Polypeptide
分子名称: Catenin beta-1, Helicon Polypeptide FP05874, N,N'-(1,4-phenylene)diacetamide
著者Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Hriniak, B, Verdine, G, McGee, J.
登録日2022-05-03
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXQ
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BU of 7uxq by Molmil
Structure of PDL1 in complex with FP28135, a Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022

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