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5TF9
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Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
分子名称: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Gunawan, J.
登録日2016-09-24
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
分子名称: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
4FWE
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BU of 4fwe by Molmil
Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A
分子名称: CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
5B6E
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BU of 5b6e by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with hmCMP
分子名称: 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP 5-hydroxymethylase
著者Gong, Z, Wu, G, He, X.
登録日2016-05-26
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
4FWF
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Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
5B6D
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BU of 5b6d by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with CMP
分子名称: CMP 5-hydroxymethylase, CYTIDINE-5'-MONOPHOSPHATE
著者Gong, Z, Wu, G, He, X.
登録日2016-05-26
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
4FWJ
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BU of 4fwj by Molmil
Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
6SIY
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BU of 6siy by Molmil
PaaK family AMP-ligase with AMP and substrate
分子名称: 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJ0
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BU of 6sj0 by Molmil
Amidohydrolase, AHS
分子名称: Amidohydrolase, BICARBONATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SIX
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BU of 6six by Molmil
PaaK family AMP-ligase with ANP
分子名称: 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
8JWN
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BU of 8jwn by Molmil
Crystal structure of AKRtyl-NADPH complex
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWO
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BU of 8jwo by Molmil
Crystal structure of AKRtyl-tylosin complex
分子名称: Aldo/keto reductase, TYLOSIN
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWL
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BU of 8jwl by Molmil
The first purified state crystal structure of AKRtyl
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWK
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BU of 8jwk by Molmil
The second purified state crystal structure of AKRtyl
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWM
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BU of 8jwm by Molmil
Crystal structure of AKRtyl-NADP-tylosin complex
分子名称: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
6TM4
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BU of 6tm4 by Molmil
NatL2 in complex with two molecules of salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Naismith, J.H, Song, H.
登録日2019-12-03
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
5JNH
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BU of 5jnh by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA
分子名称: CMP 5-hydroxymethylase
著者Zhao, G, He, X.
登録日2016-04-30
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
8K4Q
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BU of 8k4q by Molmil
Crystal structure of nanobody HuNb103 bound to human interleukin-4 receptor subunit alpha
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IL-4R nanobody HuNb103, ...
著者Ding, Y, Zhong, P.Y.
登録日2023-07-20
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A Novel Inhalable Nanobody Targeting IL-4R alpha for the Treatment of Asthma.
J.Allergy Clin.Immunol., 2024
8GRQ
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BU of 8grq by Molmil
Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome
分子名称: BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ...
著者Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
分子名称: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
著者Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8I4Z
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BU of 8i4z by Molmil
CalA3 with hydrolysis product
分子名称: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I
著者Wang, J, Wang, Z.
登録日2023-01-21
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
8I4Y
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CalA3 complex structure with amidation product
分子名称: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I
著者Wang, J, Wang, Z.
登録日2023-01-21
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
7FH5
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BU of 7fh5 by Molmil
Structure of AdaV
分子名称: AdaV, CHLORIDE ION, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-07-29
公開日2022-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
8HR1
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BU of 8hr1 by Molmil
Cryo-EM structure of SSX1 bound to the unmodified nucleosome at a resolution of 3.02 angstrom
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Zebin, T, Ai, H.S, Ziyu, X, Man, P, Liu, L.
登録日2022-12-14
公開日2023-09-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes.
Nat.Struct.Mol.Biol., 31, 2024

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