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6LPU
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BU of 6lpu by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with L-2-hydroxyglutarate (L-2-HG)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ...
Authors:Yang, J, Zhu, H, Ding, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPQ
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BU of 6lpq by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-malate (D-MAL)
Descriptor: D-2-hydroxyglutarate dehydrogenase, mitochondrial, D-MALATE, ...
Authors:Yang, J, Zhu, H, Ding, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPN
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BU of 6lpn by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in apo form
Descriptor: D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yang, J, Zhu, H, Ding, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPT
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BU of 6lpt by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-lactate (D-LAC)
Descriptor: D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yang, J, Zhu, H, Ding, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6MV1
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BU of 6mv1 by Molmil
2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6MV2
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BU of 6mv2 by Molmil
2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
2PXX
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BU of 2pxx by Molmil
Human putative methyltransferase MGC2408
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION, Uncharacterized protein MGC2408
Authors:Tempel, W, Wu, H, Dombrovsky, L, Zeng, H, Zhu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-05-14
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An intact SAM-dependent methyltransferase fold is encoded by the human endothelin-converting enzyme-2 gene.
Proteins, 74, 2009
2P57
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BU of 2p57 by Molmil
GAP domain of ZNF289, an ID1-regulated zinc finger protein
Descriptor: GTPase-activating protein ZNF289, UNKNOWN ATOM OR ION, ZINC ION
Authors:Tong, Y, Dimov, S, Shen, L, Zhu, H, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-03-14
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GAP domain of ZNF289, an ID1-regulated zinc finger protein
To be Published
2NZT
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BU of 2nzt by Molmil
Crystal structure of human hexokinase II
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ...
Authors:Rabeh, W.M, Zhu, H, Nedyalkova, L, Tempel, W, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-11-25
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The catalytic inactivation of the N-half of human hexokinase 2 and structural and biochemical characterization of its mitochondrial conformation.
Biosci.Rep., 38, 2018
4IMB
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BU of 4imb by Molmil
Structure of strictosidine synthase in complex with 2-(1-methyl-1H-indol-3-yl)ethanamine
Descriptor: 2-(1-methyl-1H-indol-3-yl)ethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-02
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4IYG
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BU of 4iyg by Molmil
Structure of strictosidine synthase in complex with 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
Descriptor: 2-(1H-indol-3-yl)-N-methylethanamine, Strictosidine synthase
Authors:Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
Deposit date:2013-01-28
Release date:2014-01-29
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
Authors:Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
2YHV
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BU of 2yhv by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-05-06
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-04-08
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
7YRD
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BU of 7yrd by Molmil
histone methyltransferase
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Li, H, Wang, W.Y.
Deposit date:2022-08-09
Release date:2023-08-16
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
7YRG
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BU of 7yrg by Molmil
histone methyltransferase
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Li, H, Wang, W.Y.
Deposit date:2022-08-09
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
7BPB
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BU of 7bpb by Molmil
Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Yang, C, Zhang, H.
Deposit date:2020-03-22
Release date:2021-03-31
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BPA
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BU of 7bpa by Molmil
Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Yang, C, Zhang, H.
Deposit date:2020-03-21
Release date:2021-03-31
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BP9
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BU of 7bp9 by Molmil
Human AAA+ ATPase VCP mutant - T76E, ADP-bound form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Yang, C, Zhang, H.
Deposit date:2020-03-21
Release date:2021-03-31
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BP8
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BU of 7bp8 by Molmil
Human AAA+ ATPase VCP mutant - T76A, ADP-bound form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Yang, C, Zhang, H.
Deposit date:2020-03-21
Release date:2021-03-31
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
8FDW
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BU of 8fdw by Molmil
Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ...
Authors:Zhang, J, Shi, W, Cai, Y.F, Zhu, H.S, Peng, H.Q, Voyer, J, Volloch, S.R, Cao, H, Mayer, M.L, Song, K.K, Xu, C, Lu, J.M, Chen, B.
Deposit date:2022-12-05
Release date:2023-05-10
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane.
Nature, 619, 2023
5KZ0
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BU of 5kz0 by Molmil
Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide
Descriptor: 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2016-07-22
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
8WP0
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BU of 8wp0 by Molmil
Structure of the Arabidopsis E529Q/E1174Q ABCB19 in the ATP bound state
Descriptor: ABC transporter B family member 19, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-08
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOO
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BU of 8woo by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide and AMP-PNP bound state
Descriptor: ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ...
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOM
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BU of 8wom by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide-bound state
Descriptor: ABC transporter B family member 19, Brassinolide
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024

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