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3H9K
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BU of 3h9k by Molmil
Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
分子名称: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者Gibson, L.M, Lovelace, L.L, Lebioda, L.
登録日2009-04-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
3DXM
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BU of 3dxm by Molmil
Structure of Bos taurus Arp2/3 Complex with Bound Inhibitor CK0993548
分子名称: (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
著者Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D.
登録日2008-07-24
公開日2009-07-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Characterization of two classes of small molecule inhibitors of Arp2/3 complex
Nature, 460, 2009
3DFO
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Dihydroxyacetone phosphate Schiff base and enamine intermediates in D33N mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A
著者St-Jean, M, Sygusch, J.
登録日2008-06-12
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase
Biochemistry, 48, 2009
3DFQ
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BU of 3dfq by Molmil
D33S mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
分子名称: Fructose-bisphosphate aldolase A
著者St-Jean, M, Sygusch, J.
登録日2008-06-12
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase
Biochemistry, 48, 2009
3DFS
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BU of 3dfs by Molmil
Dihydroxyacetone phosphate Schiff base intermediate in D33S mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A
著者St-Jean, M, Sygusch, J.
登録日2008-06-12
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase
Biochemistry, 48, 2009
3EDW
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BU of 3edw by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-03
公開日2010-03-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3EGY
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BU of 3egy by Molmil
Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive conformation
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L.
登録日2008-09-11
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation.
Protein Sci., 18, 2009
3EI3
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BU of 3ei3 by Molmil
Structure of the hsDDB1-drDDB2 complex
分子名称: DNA damage-binding protein 1, DNA damage-binding protein 2, TETRAETHYLENE GLYCOL
著者Scrima, A, Thoma, N.H.
登録日2008-09-15
公開日2009-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
3H8H
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BU of 3h8h by Molmil
Structure of the C-terminal domain of human RNF2/RING1B;
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RING2, GLYCEROL, ...
著者Walker, J.R, Bezsonova, I, Bacik, J, Duan, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins.
Biochemistry, 48, 2009
3GTU
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BU of 3gtu by Molmil
LIGAND-FREE HETERODIMERIC HUMAN GLUTATHIONE S-TRANSFERASE M2-3 (EC 2.5.1.18), MONOCLINIC CRYSTAL FORM
分子名称: GLUTATHIONE S-TRANSFERASE
著者Patskovsky, Y.V, Patskovska, L.N, Listowsky, I.
登録日1998-07-29
公開日1999-07-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An asparagine-phenylalanine substitution accounts for catalytic differences between hGSTM3-3 and other human class mu glutathione S-transferases.
Biochemistry, 38, 1999
7OBQ
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SRP-SR at the distal site conformation
分子名称: EM14S01-3B_G0054400.mRNA.1.CDS.1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jomaa, A, Ban, N.
登録日2021-04-23
公開日2021-07-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle.
Cell Rep, 36, 2021
7O2V
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BU of 7o2v by Molmil
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
分子名称: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A
著者Garau, G.
登録日2021-03-31
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
7O18
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BU of 7o18 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282
分子名称: (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Chung, C.
登録日2021-03-28
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
7TA8
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BU of 7ta8 by Molmil
NMR structure of crosslinked cyclophilin A
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M.
登録日2021-12-20
公開日2022-06-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
7O6R
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BU of 7o6r by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole
分子名称: 1H-indazole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-12
公開日2022-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7ODI
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BU of 7odi by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7OIM
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BU of 7oim by Molmil
Mouse RNF213, with mixed nucleotides bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, ...
著者Grabarczyk, D, Ahel, J, Clausen, T.
登録日2021-05-11
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7ODB
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BU of 7odb by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, GLYCEROL, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7OIK
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BU of 7oik by Molmil
Mouse RNF213:UBE2L3 transthiolation intermediate, chemically stabilized
分子名称: ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, MAGNESIUM ION, ...
著者Grabarczyk, D, Ahel, J, Clausen, T.
登録日2021-05-11
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7U5M
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BU of 7u5m by Molmil
Cryo-EM Structure of GAPDH
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Morgan, C.E, Zhang, Z, Yu, E.W.
登録日2022-03-02
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7ODD
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BU of 7odd by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with tricine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7OAT
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BU of 7oat by Molmil
Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Petrovic, S, Heinemann, U, Roske, Y.
登録日2021-04-20
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
分子名称: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
著者Ma, X, Ornelas, E, Clifton, M.C.
登録日2022-03-08
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
7OUF
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Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUG
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STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021

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