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7LI4
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BU of 7li4 by Molmil
Structure of LRRK2 after symmetry expansion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
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
6L62
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BU of 6l62 by Molmil
Neutralization mechanism of a monoclonal antibody targeting a porcine circovirus type 2 Cap protein conformational epitope
Descriptor: Capsid protein, Heavy chain of Fab fragment, Light chain of Fab fragment
Authors:Sun, Z, Huang, L, Xia, D, Wei, Y, Sun, E, Zhu, H, Bian, H, Wu, H, Feng, L, Wang, J, Liu, C.
Deposit date:2019-10-25
Release date:2020-02-12
Last modified:2020-04-29
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Neutralization Mechanism of a Monoclonal Antibody Targeting a Porcine Circovirus Type 2 Cap Protein Conformational Epitope.
J.Virol., 94, 2020
6LM3
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BU of 6lm3 by Molmil
Neutralization mechanism of a monoclonal antibody targeting a porcine circovirus type 2 Cap protein conformational epitope
Descriptor: Capsid protein
Authors:Sun, Z, Huang, L, Xia, D, Wei, Y, Sun, E, Zhu, H, Bian, H, Wu, H, Feng, L, Wang, J, Liu, C.
Deposit date:2019-12-24
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Neutralization Mechanism of a Monoclonal Antibody Targeting a Porcine Circovirus Type 2 Cap Protein Conformational Epitope.
J.Virol., 94, 2020
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
2R13
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BU of 2r13 by Molmil
Crystal structure of human mitoNEET reveals a novel [2Fe-2S] cluster coordination
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1
Authors:Hou, X, Liu, R, Ross, S, Smart, E.J, Zhu, H, Gong, W.
Deposit date:2007-08-22
Release date:2007-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies of human MitoNEET
J.Biol.Chem., 282, 2007
6LPP
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BU of 6lpp by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-2-hydroxyglutarate (D-2-HG)
Descriptor: (2R)-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 (2.65 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
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
6LPX
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BU of 6lpx by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with 2-oxoglutarate (2-OG)
Descriptor: 2-OXOGLUTARIC 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 (2.8 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
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
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
7AHU
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BU of 7ahu by Molmil
Anti-FX Fab of mim8 in complex with human FXa
Descriptor: Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ...
Authors:Johansson, E.
Deposit date:2020-09-25
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7AHV
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BU of 7ahv by Molmil
Anti-FIXa Fab of mim8 in complex with human FIXa
Descriptor: CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
Authors:Johansson, E.
Deposit date:2020-09-25
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
5HSJ
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BU of 5hsj by Molmil
Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
5W8I
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BU of 5w8i by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
Descriptor: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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BU of 5w8h by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Descriptor: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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

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