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6Q2Q
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BU of 6q2q by Molmil
Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-08
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
8IUO
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BU of 8iuo by Molmil
respiratory syncytial virus nucleocapsid-like assembly
Descriptor: Nucleoprotein, RNA (35-MER)
Authors:Wang, Y, Luo, Y, Ling, X, Luo, B, Jia, G, Dong, H, Su, Z.
Deposit date:2023-03-24
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Cryo-EM structure of the nucleocapsid-like assembly of respiratory syncytial virus.
Signal Transduct Target Ther, 8, 2023
1YQ4
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BU of 1yq4 by Molmil
Avian respiratory complex ii with 3-nitropropionate and ubiquinone
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ...
Authors:Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
Deposit date:2005-02-01
Release date:2005-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
1YQ3
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BU of 1yq3 by Molmil
Avian respiratory complex ii with oxaloacetate and ubiquinone
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer, ...
Authors:Huang, L, Cobessi, D, Tung, E.Y, Berry, E.A.
Deposit date:2005-02-01
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
6AY2
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BU of 6ay2 by Molmil
Structure of CathB with covalently linked Compound 28
Descriptor: Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
Authors:Kiefer, J.R, Steinbacher, S.
Deposit date:2017-09-07
Release date:2017-12-27
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
4Y18
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BU of 4y18 by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Wu, Q, Blundell, T.L.
Deposit date:2015-02-06
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
4Y2G
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BU of 4y2g by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Wu, Q, Blundell, T.L.
Deposit date:2015-02-09
Release date:2016-01-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
2FBW
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BU of 2fbw by Molmil
Avian respiratory complex II with carboxin bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
Authors:Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
Deposit date:2005-12-10
Release date:2005-12-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
3E3R
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BU of 3e3r by Molmil
Crystal structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
Descriptor: CALCIUM ION, Calcyphosin
Authors:Dong, H.
Deposit date:2008-08-07
Release date:2008-08-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
J.Mol.Biol., 383, 2008
6MYQ
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BU of 6myq by Molmil
Avian mitochondrial complex II with ferulenol bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYP
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BU of 6myp by Molmil
Avian mitochondrial complex II with TTFA (thenoyltrifluoroacetone) bound
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE, BICARBONATE ION, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYT
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BU of 6myt by Molmil
Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, DI(HYDROXYETHYL)ETHER, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
Descriptor: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
Authors:Zhou, X.
Deposit date:2022-07-01
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6MYU
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BU of 6myu by Molmil
Avian mitochondrial complex II crystallized in the presence of HQNO
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYO
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BU of 6myo by Molmil
Avian mitochondrial complex II with flutolanyl bound
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
2H89
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BU of 2h89 by Molmil
Avian Respiratory Complex II with Malonate Bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A.
Deposit date:2006-06-06
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
2H88
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BU of 2h88 by Molmil
Avian Mitochondrial Respiratory Complex II at 1.8 Angstrom Resolution
Descriptor: AZIDE ION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A.
Deposit date:2006-06-06
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
5CA8
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BU of 5ca8 by Molmil
Structures of the yeast dynamin-like GTPase Sey1p in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein SEY1
Authors:Yan, L.
Deposit date:2015-06-29
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
5DZO
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BU of 5dzo by Molmil
Crystal structure of human T-cell immunoglobulin and mucin domain protein 1
Descriptor: Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
Authors:Yuan, S, Rao, Z, Wang, X.
Deposit date:2015-09-25
Release date:2015-11-25
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
5DZN
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BU of 5dzn by Molmil
human T-cell immunoglobulin and mucin domain protein 4
Descriptor: T-cell immunoglobulin and mucin domain-containing protein 4
Authors:Yuan, S, Rao, Z, Wang, X.
Deposit date:2015-09-25
Release date:2015-11-25
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
5CA9
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BU of 5ca9 by Molmil
Structures of the candida albicans sey1p GTPase in complex with GDPAlF4-
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein SEY1, ...
Authors:Yan, L.
Deposit date:2015-06-29
Release date:2015-09-23
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015

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数据于2024-06-26公开中

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