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5I0J
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BU of 5i0j by Molmil
Crystal structure of DR2231_E47A mutant in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DR2231
著者Mota, C.S, Goncalves, A.M.D, de Sanctis, D.
登録日2016-02-04
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
6LCI
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BU of 6lci by Molmil
Solution structure of mdaA-1 domain
分子名称: mdaA-1
著者Nguyen, T.A, Le, S, Lee, M, Fan, J.S, Yang, D, Yan, J, Jedd, G.
登録日2019-11-19
公開日2020-11-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Fungal Wound Healing through Instantaneous Protoplasmic Gelation.
Curr.Biol., 31, 2021
5I3M
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BU of 5i3m by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).
分子名称: (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-10
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
6LAG
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BU of 6lag by Molmil
Solution structure of SPA-2 SHD
分子名称: Spa2-like protein
著者Fan, J.S, Wong, J.Y, Zheng, P, Yang, D, Jedd, G.
登録日2019-11-12
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds.
Nat Commun, 11, 2020
7S5F
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BU of 7s5f by Molmil
Crystal structure of mannose-6-phosphate reductase from celery (Apium graveolens) leaves with NADP+ and mannonic acid bound
分子名称: D-MANNONIC ACID, Manose-6-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, Y, Bhayani, J.A, Romina, I.M, Hartman, M.D, Cereijo, A.E, Ballicora, M.A, Iglesias, A.A, Figueroa, C.M, Liu, D.
登録日2021-09-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases.
Plant Cell.Physiol., 63, 2022
6L7K
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BU of 6l7k by Molmil
solution structure of hIFABP V60C/Y70C variant.
分子名称: Fatty acid-binding protein, intestinal
著者Fan, J, Yang, D.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening.
Biophys.J., 118, 2020
7SBH
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BU of 7sbh by Molmil
Crystal structure of the iron superoxide dismutase from Acinetobacter sp. Ver3
分子名称: FE (III) ION, FLAVIN MONONUCLEOTIDE, Superoxide dismutase
著者Steimbruch, B.A, Albanesi, D, Repizo, G.D, Lisa, M.N.
登録日2021-09-24
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3.
Sci Rep, 12, 2022
5I3S
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BU of 5i3s by Molmil
Crystal structure of Staphylococcal IMPase-II
分子名称: Inositol monophosphatase family protein, PHOSPHATE ION
著者Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
登録日2016-02-11
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Staphylococcal IMPase-II
To Be Published
7S5I
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BU of 7s5i by Molmil
Crystal structure of Aldose-6-phosphate reductase (Ald6PRase) from peach (Prunus persica) leaves
分子名称: Sorbitol-6-phosphate dehydrogenase
著者Zheng, Y, Bhayani, J.A, Romina, I.M, Hartman, M.D, Cereijo, A.E, Ballicora, M.A, Iglesias, A.A, Figueroa, C.M, Liu, D.
登録日2021-09-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases.
Plant Cell.Physiol., 63, 2022
5IEX
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BU of 5iex by Molmil
Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2
分子名称: (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5I9S
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BU of 5i9s by Molmil
MicroED structure of proteinase K at 1.75 A resolution
分子名称: Proteinase K, SULFATE ION
著者Hattne, J, Shi, D, de la Cruz, M.J, Reyes, F.E, Gonen, T.
登録日2016-02-20
公開日2016-06-08
最終更新日2023-08-30
実験手法ELECTRON CRYSTALLOGRAPHY (1.75 Å)
主引用文献Modeling truncated pixel values of faint reflections in MicroED images.
J.Appl.Crystallogr., 49, 2016
5IPG
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BU of 5ipg by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure FFT-butyl (Hyperoxodized by t-butyl hydroperoxide)
分子名称: Bacterioferritin comigratory protein, SODIUM ION
著者Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
登録日2016-03-09
公開日2016-09-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
分子名称: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-12
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I0M
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BU of 5i0m by Molmil
Crystal structure of DR2231_E79A mutant in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DR2231
著者Mota, C.S, Goncalves, A.M.D, de Sanctis, D.
登録日2016-02-04
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
6LP2
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BU of 6lp2 by Molmil
Structure of Lpg2148/UBE2N-Ub complex
分子名称: Ubiquitin, Ubiquitin-conjugating enzyme E2 N, Uncharacterized protein lpg2148
著者Feng, Y, Wang, Y, Huang, Y, Li, D.
登録日2020-01-08
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.479 Å)
主引用文献Structure of Lpg2148/UBE2N-Ub complex
To Be Published
5I8T
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BU of 5i8t by Molmil
Structure of Mouse Acireductone dioxygenase with Ni2+ ion and D-lactic acid in the active site
分子名称: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, ISOPROPYL ALCOHOL, LACTIC ACID, ...
著者Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D.
登録日2016-02-19
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Biochemistry, 55, 2016
5I8Y
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BU of 5i8y by Molmil
Structure of Mouse Acireductone Dioxygenase bound to Co2+ and 2-keto-4-(methylthio)-butyric acid
分子名称: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, COBALT (II) ION
著者Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D.
登録日2016-02-19
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Biochemistry, 55, 2016
5I93
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BU of 5i93 by Molmil
Structure of Mouse Acireductone dioxygenase with Ni2+ and 2-ketopentanoic acid in the active site
分子名称: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 2-oxopentanoic acid, NICKEL (II) ION
著者Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D.
登録日2016-02-19
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Biochemistry, 55, 2016
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
分子名称: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
著者Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
登録日2020-01-17
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
6M2W
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BU of 6m2w by Molmil
Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL)
分子名称: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
著者Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
登録日2020-03-01
公開日2020-09-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
6LT6
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BU of 6lt6 by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine
分子名称: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shima, Y, Morita, D.
登録日2020-01-21
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
5IMD
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BU of 5imd by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F4
分子名称: Bacterioferritin comigratory protein, FORMIC ACID, OXYGEN ATOM, ...
著者Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
登録日2016-03-06
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
7SCI
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BU of 7sci by Molmil
AM0627 metallopeptidase from Akkermansia muciniphila
分子名称: CHLORIDE ION, FORMIC ACID, Peptidase M60 domain-containing protein, ...
著者Fernandez, D, Bertozzi, C.R, Shon, D.J.
登録日2021-09-28
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided mutagenesis of a mucin-selective metalloprotease from Akkermansia muciniphila alters substrate preferences.
J.Biol.Chem., 298, 2022
5INY
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BU of 5iny by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F8
分子名称: Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION
著者Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
登録日2016-03-08
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016

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