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8PH6
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BU of 8ph6 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ...
著者Teran, A, Ferraro, G, Merlino, A.
登録日2023-06-19
公開日2023-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
分子名称: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
著者Lucic, A, Schofield, C.J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A60
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Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
分子名称: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
2P8E
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BU of 2p8e by Molmil
Crystal structure of the serine/threonine phosphatase domain of human PPM1B
分子名称: MAGNESIUM ION, PPM1B beta isoform variant 6
著者Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-22
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6D6C
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BU of 6d6c by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 12
分子名称: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate, HISTIDINE, Transcriptional activator protein LasR
著者Dong, S.H, Nair, S.K.
登録日2018-04-20
公開日2018-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
3MB3
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BU of 3mb3 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
分子名称: 1-methylpyrrolidin-2-one, PH-interacting protein
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
9GS1
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BU of 9gs1 by Molmil
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Oxaziclomefone
分子名称: GLYCEROL, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ...
著者Montgomery, M.G.
登録日2024-09-13
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides
To Be Published
3UTO
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BU of 3uto by Molmil
Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26)
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Castelmur, E, Barbieri, S, Mayans, O.
登録日2011-11-26
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of an N-terminal inhibitory extension as the primary mechanosensory regulator of twitchin kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7RHD
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BU of 7rhd by Molmil
darkmRuby M94T/F96Y mutant at pH 7.5
分子名称: 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
6SQX
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BU of 6sqx by Molmil
Insights into a novel NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
著者Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S.
登録日2019-09-04
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Secreted NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida Cleaves the Peptidoglycan of Potentially Competing Bacteria.
Msphere, 6, 2021
3E9B
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BU of 3e9b by Molmil
X-ray structure of rat arginase I-T135A mutant: the complex with BEC
分子名称: Arginase-1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
著者Shishova, E.Y, Di Costanzo, L, Christianson, D.W.
登録日2008-08-21
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3EFZ
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BU of 3efz by Molmil
Crystal Structure of a 14-3-3 protein from cryptosporidium parvum (cgd1_2980)
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein
著者Wernimont, A.K, Dong, A, Qiu, W, Lew, J, Wasney, G.A, Vedadi, M, Kozieradzki, I, Zhao, Y, Ren, H, Alam, Z, Lin, Y.H, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
登録日2008-09-10
公開日2008-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
7A8S
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BU of 7a8s by Molmil
de novo designed ba8-barrel sTIM11 with an alpha-helical extension
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3
著者Shanmugaratnam, S, Wiese, J.G, Hocker, B.
登録日2020-08-31
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
1MF8
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BU of 1mf8 by Molmil
Crystal Structure of human calcineurin complexed with cyclosporin A and human cyclophilin
分子名称: CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CALMODULIN-DEPENDENT CALCINEURIN A SUBUNIT, ...
著者Jin, L, Harrison, S.C.
登録日2002-08-09
公開日2002-10-16
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of Human Calcineurin Complexed with Cyclosporin a and Human Cyclophilin
Proc.Natl.Acad.Sci.USA, 99, 2002
1MMY
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BU of 1mmy by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-quinovose
分子名称: Aldose 1-epimerase, SODIUM ION, alpha-D-quinovopyranose
著者Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M.
登録日2002-09-04
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
1MNZ
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BU of 1mnz by Molmil
Atomic structure of Glucose isomerase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Nowak, E, Panjikar, S, Tucker, P.A.
登録日2002-09-06
公開日2002-09-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Atomic structure of Glucose isomerase
To be published
6SC4
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BU of 6sc4 by Molmil
Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ...
著者Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M.
登録日2019-07-23
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase.
Front Microbiol, 11, 2020
6SY7
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BU of 6sy7 by Molmil
Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP.
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ...
著者McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D.
登録日2019-09-27
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis.
Febs J., 287, 2020
1MQR
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BU of 1mqr by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6
分子名称: ALPHA-D-GLUCURONIDASE, GLYCEROL
著者Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
登録日2002-09-17
公開日2003-09-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
3E3D
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BU of 3e3d by Molmil
Structure of hen egg white lysozyme with the magic triangle I3C
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C
著者Beck, T, Gruene, T, Sheldrick, G.M.
登録日2008-08-07
公開日2008-10-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
4GAF
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BU of 4gaf by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ...
著者Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
登録日2012-07-25
公開日2013-02-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
6SMF
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BU of 6smf by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRATE ANION, ...
著者Lapthorn, A.J, Roszak, A.W.
登録日2019-08-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
3E6K
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BU of 3e6k by Molmil
X-ray structure of Human Arginase I: the mutant D183A in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2008-08-15
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
6DBB
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BU of 6dbb by Molmil
Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
分子名称: 1,2-ETHANEDIOL, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-05-02
公開日2018-08-29
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
TO BE PUBLISHED
3E6V
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BU of 3e6v by Molmil
X-ray structure of human arginase I-D183N mutant: the complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2008-08-16
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009

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