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6NBQ
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BU of 6nbq by Molmil
T.elongatus NDH (data-set 1)
Descriptor: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 2, ...
Authors:Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
Deposit date:2018-12-09
Release date:2019-02-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
5NTI
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BU of 5nti by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
6NBO
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BU of 6nbo by Molmil
Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-isopropylammelide isopropylaminohydrolase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616
to be published
7TRE
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BU of 7tre by Molmil
Human telomerase catalytic core with shelterin protein TPP1
Descriptor: Adrenocortical dysplasia protein homolog, Telomerase RNA, partial sequence, ...
Authors:Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J.
Deposit date:2022-01-28
Release date:2022-04-20
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of active human telomerase with telomere shelterin protein TPP1.
Nature, 604, 2022
5NVN
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BU of 5nvn by Molmil
Crystal structure of the human 4EHP-4E-BP1 complex
Descriptor: Eukaryotic translation initiation factor 4E type 2, Eukaryotic translation initiation factor 4E-binding protein 1, FORMIC ACID
Authors:Peter, D, Sandmeir, F, Valkov, E.
Deposit date:2017-05-04
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GIGYF1/2 proteins use auxiliary sequences to selectively bind to 4EHP and repress target mRNA expression.
Genes Dev., 31, 2017
5NVC
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BU of 5nvc by Molmil
Crystal structure of TNKS2 in complex with 2-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
Descriptor: 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-04
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
5NWD
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BU of 5nwd by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(diethylamino)phenyl]-3,4-dihydroquinazolin-4-one
Descriptor: 2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
Deposit date:2017-05-05
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
6N3F
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BU of 6n3f by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ...
Authors:Leach, J.R, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
3NSD
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BU of 3nsd by Molmil
Silver bound to the multicopper oxidase CueO (untagged)
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, OXYGEN ATOM, ...
Authors:Montfort, W.R, Roberts, S.A, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
6MA8
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BU of 6ma8 by Molmil
Human CYP3A4 bound to PMSF
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-08-26
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
6NUB
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BU of 6nub by Molmil
Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Srivastava, D, Nandi, S, Dey, M.
Deposit date:2019-01-31
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
6NRA
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BU of 6nra by Molmil
hTRiC-hPFD Class1 (No PFD)
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
Deposit date:2019-01-23
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
5O8U
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BU of 5o8u by Molmil
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
6NU1
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BU of 6nu1 by Molmil
Crystal Structure of Human PKM2 in Complex with L-cysteine
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, CYSTEINE, MAGNESIUM ION, ...
Authors:Srivastava, D, Nandi, S, Dey, M.
Deposit date:2019-01-30
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
7S1T
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BU of 7s1t by Molmil
Structure of the human POT1-TPP1 complex
Descriptor: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
Authors:Aramburu, T, Skordalakes, E.
Deposit date:2021-09-02
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:POT1-TPP1 binding stabilizes POT1, promoting efficient telomere maintenance.
Comput Struct Biotechnol J, 20, 2022
5O8V
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BU of 5o8v by Molmil
Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O90
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BU of 5o90 by Molmil
Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide.
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Nichols, C.E, De Nicola, G.F, Thapa, D.
Deposit date:2017-06-15
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185.
Mol. Cell. Biol., 38, 2018
5ND3
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BU of 5nd3 by Molmil
Microtubule-bound MKLP2 motor domain in the with no nucleotide
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
Authors:Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
3OD3
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BU of 3od3 by Molmil
CueO at 1.1 A resolution including residues in previously disordered region
Descriptor: 1,2-ETHANEDIOL, Blue copper oxidase cueO, COPPER (II) ION, ...
Authors:Montfort, W.R, Roberts, S.A, Singh, S.K.
Deposit date:2010-08-10
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
6N3W
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BU of 6n3w by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[3-Phenyl-1-Ethyl]Carbamoyl Guanosine
Descriptor: 5'-O-[(2-phenylethyl)carbamoyl]guanosine, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6MJM
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BU of 6mjm by Molmil
Substrate Free Cytochrome P450 3A5 (CYP3A5)
Descriptor: Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2018-09-21
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
5NP1
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BU of 5np1 by Molmil
Open protomer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
7U4T
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BU of 7u4t by Molmil
Human V-ATPase in state 2 with SidK and mEAK-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ...
Authors:Wang, L, Fu, T.M.
Deposit date:2022-03-01
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022
6NBX
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BU of 6nbx by Molmil
T.elongatus NDH (data-set 2)
Descriptor: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ...
Authors:Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
Deposit date:2018-12-10
Release date:2019-02-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
6NRC
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BU of 6nrc by Molmil
hTRiC-hPFD Class3
Descriptor: Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ...
Authors:Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
Deposit date:2019-01-23
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019

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数据于2024-07-10公开中

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