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4P18
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BU of 4p18 by Molmil
Crystal Structure of frog M ferritin mutant D80K
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P.
登録日2014-02-25
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Loop electrostatics modulates the intersubunit interactions in ferritin.
Acs Chem.Biol., 9, 2014
5VB8
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BU of 5vb8 by Molmil
Crystal structure of the NavAb voltage-gated sodium channel in an open state
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SODIUM ION, ...
著者Lenaeus, M.J, Catterall, W.A.
登録日2017-03-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of closed and open states of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6LQL
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BU of 6lql by Molmil
Complex structure of CHAO with product from Erythrobacteraceae bacterium
分子名称: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-14
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
5Z4T
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BU of 5z4t by Molmil
Complex structure - AxMan113A-M3
分子名称: beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
登録日2018-01-13
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromAmphibacillus xylanus
J. Biol. Chem., 293, 2018
2VAU
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BU of 2vau by Molmil
Isopenicillin N synthase with substrate analogue ACOMP (unexposed)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE
著者Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
登録日2007-09-04
公開日2008-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
J.Am.Chem.Soc., 130, 2008
4Z10
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BU of 4z10 by Molmil
Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
分子名称: ACETATE ION, Aurone synthase, COPPER (II) ION, ...
著者Molitor, C, Mauracher, S.G, Rompel, A.
登録日2015-03-26
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
To Be Published
4NJB
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BU of 4njb by Molmil
Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yamini, S, Sirohi, H.V, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-11-09
公開日2013-11-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution
To be Published
1CRU
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BU of 1cru by Molmil
SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE
分子名称: CALCIUM ION, GLYCEROL, METHYLHYDRAZINE, ...
著者Oubrie, A, Rozeboom, H.J, Dijkstra, B.W.
登録日1999-08-16
公開日2000-03-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Active-site structure of the soluble quinoprotein glucose dehydrogenase complexed with methylhydrazine: a covalent cofactor-inhibitor complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
4NMC
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BU of 4nmc by Molmil
Crystal structure of oxidized proline utilization A (PutA) from Geobacter sulfurreducens PCA complexed with Zwittergent 3-12
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, ...
著者Singh, H, Tanner, J.J.
登録日2013-11-14
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
1CW7
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BU of 1cw7 by Molmil
LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
著者Stroud, M.R, Finer-Moore, J.
登録日1999-08-25
公開日1999-09-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
3ZGL
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BU of 3zgl by Molmil
Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway
分子名称: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER
著者Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M.
登録日2012-12-18
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials.
Chembiochem, 18, 2017
4JE1
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BU of 4je1 by Molmil
Crystal structure of thiol peroxidase from BURKHOLDERIA CENOCEPACIA J2315
分子名称: 1,2-ETHANEDIOL, Probable thiol peroxidase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-02-26
公開日2013-03-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of thiol peroxidase from BURKHOLDERIA CENOCEPACIA J2315
To be Published
3SLE
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BU of 3sle by Molmil
Crystal Structure of the P107C-MauG/pre-Methylamine Dehydrogenase Complex
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Yukl, E.T, Wilmot, C.M.
登録日2011-06-24
公開日2012-05-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Proline 107 is a major determinant in maintaining the structure of the distal pocket and reactivity of the high-spin heme of MauG.
Biochemistry, 51, 2012
3HZO
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BU of 3hzo by Molmil
Rv0554 from Mycobacterium tuberculosis - the structure solved from the tetragonal crystal form
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, SODIUM ION, ...
著者Johnston, J.M, Baker, E.N.
登録日2009-06-23
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of Rv0554 from Mycobacterium tuberculosis
To be Published
4YA5
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BU of 4ya5 by Molmil
Yeast 20S proteasome beta2-H114D mutant in complex with Ac-PAE-ep
分子名称: Ac-PAE-ep, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-17
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
1N5X
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BU of 1n5x by Molmil
Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound
分子名称: 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Okamoto, K, Eger, B.T, Nishino, T, Kondo, S, Pai, E.F, Nishino, T.
登録日2002-11-07
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An Extremely Potent Inhibitor of Xanthine Oxidoreductase: Crystal Structure of the Enzyme-Inhibitor Complex and Mechanism of Inhibition
J.BIOL.CHEM., 278, 2003
7DL7
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BU of 7dl7 by Molmil
The wild-type structure of 3,5-DAHDHcca
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ...
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-26
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.30065823 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
3IBL
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BU of 3ibl by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Alterio, V, De Simone, G.
登録日2009-07-16
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3DOO
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BU of 3doo by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
著者Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
登録日2008-07-05
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3SRQ
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BU of 3srq by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
5EQH
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BU of 5eqh by Molmil
Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
分子名称: (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1
著者Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
登録日2015-11-12
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
2VM1
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BU of 2vm1 by Molmil
Crystal structure of barley thioredoxin h isoform 1 crystallized using ammonium sulfate as precipitant
分子名称: SULFATE ION, THIOREDOXIN H ISOFORM 1.
著者Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A.
登録日2008-01-21
公開日2008-04-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
3IBN
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BU of 3ibn by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Alterio, V, De Simone, G.
登録日2009-07-16
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
1M7S
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BU of 1m7s by Molmil
Crystal Structure Analysis of Catalase CatF of Pseudomonas syringae
分子名称: Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Carpena, X, Soriano, M, Klotz, M.G, Duckworth, H.W, Donald, L.J, Melik-Adamyan, W, Fita, I, Loewen, P.C.
登録日2002-07-22
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Clade 1 catalase, CatF of Pseudomonas syringae, at 1.8 A resolution
Proteins, 50, 2003
7DR1
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BU of 7dr1 by Molmil
Structure of Wild-type PSI monomer2 from Cyanophora paradoxa
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Kato, K, Nagao, R, Akita, F, Miyazaki, N, Shen, J.R.
登録日2020-12-25
公開日2022-02-16
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into an evolutionary turning-point of photosystem I from prokaryotes to eukaryotes
Biorxiv, 2022

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