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PDB: 42254 件
6S02
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BU of 6s02 by Molmil
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 70, MAGNESIUM ION
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
4AJN
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BU of 4ajn by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid
分子名称: (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
著者Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
6LPN
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BU of 6lpn by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in apo form
分子名称: D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
3KXF
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BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
登録日2009-12-03
公開日2010-06-09
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
6LTJ
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BU of 6ltj by Molmil
Structure of nucleosome-bound human BAF complex
分子名称: AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ...
著者He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
登録日2020-01-22
公開日2020-02-12
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-10
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
4AJ1
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BU of 4aj1 by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
登録日2012-02-15
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
8R5H
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BU of 8r5h by Molmil
Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-VHL-MZ1 with trapped UBE2R2~donor UB-BRD4 BD2
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 5-azanylpentan-2-one, Bromodomain-containing protein 4, ...
著者Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
登録日2023-11-16
公開日2024-02-21
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting.
Mol.Cell, 84, 2024
8B6U
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BU of 8b6u by Molmil
Mpf2Ba1 monomer
分子名称: MAGNESIUM ION, Mpf2Ba1
著者Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
登録日2022-09-27
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.134 Å)
主引用文献Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
8B6W
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BU of 8b6w by Molmil
Mpf2Ba1 pore
分子名称: MAGNESIUM ION, Mpf2Ba1
著者Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
登録日2022-09-27
公開日2023-05-31
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
8PXV
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BU of 8pxv by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
分子名称: Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ...
著者Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P.
登録日2023-07-24
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8JDN
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BU of 8jdn by Molmil
Crystal structure of H405A mLDHD in complex with D-2-hydroxyvaleric acid
分子名称: (2R)-2-oxidanylpentanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-15
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
3KNX
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BU of 3knx by Molmil
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
分子名称: (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
著者Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G.
登録日2009-11-12
公開日2010-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
2WZX
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BU of 2wzx by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
8JDS
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BU of 8jds by Molmil
Crystal structure of mLDHD in complex with Pyruvate
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, PYRUVIC ACID, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-15
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.636 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDB
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BU of 8jdb by Molmil
Crystal structure of H405A mLDHD in complex with D-2-hydroxyoctanoic acid
分子名称: (2R)-2-oxidanyloctanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-13
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDC
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BU of 8jdc by Molmil
Crystal structure of mLDHD in apo form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, mitochondrial
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-13
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDQ
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BU of 8jdq by Molmil
Crystal structure of H405A mLDHD in complex with D-2-hydroxyisocaproic acid
分子名称: (2R)-2-hydroxy-4-methylpentanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-15
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDT
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BU of 8jdt by Molmil
Crystal structure of mLDHD in complex with 2-ketobutanoic acid
分子名称: 2-KETOBUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-15
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
6SV1
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BU of 6sv1 by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 E34A variant
分子名称: CALCIUM ION, Encapsulated Ferritin, FE (III) ION
著者Marles-Wright, J, He, D.
登録日2019-09-17
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dissecting the structural and functional roles of a putative metal entry site in encapsulated ferritins.
J.Biol.Chem., 295, 2020
8JDV
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Crystal structure of mLDHD in complex with 2-ketohexanoic acid
分子名称: 2-Ketohexanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-15
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
2WYM
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BU of 2wym by Molmil
Structure of a metallo-b-lactamase
分子名称: CITRATE ANION, GLYCEROL, L-ASCORBATE-6-PHOSPHATE LACTONASE ULAG, ...
著者Garces, F, Fernandez, F.J, Penya-Soler, E, Aguilar, J, Baldoma, L, Coll, M, Badia, J, Vega, M.C.
登録日2009-11-16
公開日2010-04-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Architecture of the Mn(2+)Dependent Lactonase Ulag Reveals an Rnase-Like Metallo-Beta-Lactamase Fold and a Novel Quaternary Structure.
J.Mol.Biol., 398, 2010
8JDG
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BU of 8jdg by Molmil
Crystal structure of H405A mLDHD in complex with D-2-hydroxybutanoic acid
分子名称: (2R)-2-oxidanylbutanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ...
著者Jin, S, Chen, X, Yang, J, Ding, J.
登録日2023-05-14
公開日2023-10-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8B6V
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Mp2Ba1 pre-pore
分子名称: MAGNESIUM ION, Mpf2Ba1
著者Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
登録日2022-09-27
公開日2023-05-31
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023

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