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8PSW
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ERK2 covalently bound to RU67 cyclohexenone based inhibitor
分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PT1
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BU of 8pt1 by Molmil
ERK2 covelently bound to RU76 cyclohexenone based inhibitor
分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
7WI1
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BU of 7wi1 by Molmil
The mutant variant of PNGM-1, H93 was substituuted for alanine to study metal coordination
分子名称: Metallo-beta-lactamase PNGM-1, ZINC ION
著者Park, Y.S, Kang, L.W, Lee, J.H.
登録日2022-01-01
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural Study of Metal Binding and Coordination in Ancient Metallo-beta-Lactamase PNGM-1 Variants.
Int J Mol Sci, 21, 2020
2HYV
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BU of 2hyv by Molmil
Human Annexin A2 with heparin hexasaccharide bound
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Annexin A2, CALCIUM ION
著者Shao, C, Head, J.F, Seaton, B.A.
登録日2006-08-07
公開日2006-09-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystallographic analysis of calcium-dependent heparin binding to annexin A2.
J.Biol.Chem., 281, 2006
8PT3
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BU of 8pt3 by Molmil
ERK2 covelently bound to RU77 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
2I37
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BU of 2i37 by Molmil
Crystal structure of a photoactivated rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Rhodopsin, ...
著者Lodowski, D.T, Stenkamp, R.E, Salom, D, Le Trong, I, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8PST
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BU of 8pst by Molmil
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
7W9N
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BU of 7w9n by Molmil
THE STRUCTURE OF OBA33-OTA COMPLEX
分子名称: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER)
著者Xu, G.H, Li, C.G.
登録日2021-12-10
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer.
J.Am.Chem.Soc., 144, 2022
2I1K
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BU of 2i1k by Molmil
Moesin from Spodoptera frugiperda reveals the coiled-coil domain at 3.0 angstrom resolution
分子名称: CHLORIDE ION, GLYCEROL, Moesin, ...
著者Nance, M.R, Tesmer, J.J.G.
登録日2006-08-14
公開日2006-12-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Self-masking in an Intact ERM-merlin Protein: An Active Role for the Central alpha-Helical Domain.
J.Mol.Biol., 365, 2007
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Gogl, G, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PT0
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BU of 8pt0 by Molmil
ERK2 covelently bound to RU75 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8IJN
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BU of 8ijn by Molmil
Bovine Heart Cytochrome c Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A, Muramoto, K.
登録日2023-02-27
公開日2023-04-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate.
Proc.Natl.Acad.Sci.USA, 107, 2010
7W8G
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BU of 7w8g by Molmil
Cryo-EM structure of MCM double hexamer
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Cheng, J, Li, N, Tye, B, Zhai, Y, Gao, N.
登録日2021-12-07
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
8Q2B
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BU of 8q2b by Molmil
E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
著者Sauer, U.H, Wolf-Watz, M, Nam, K.
登録日2023-08-01
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
J.Chem.Inf.Model., 64, 2024
8QEA
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BU of 8qea by Molmil
Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution: 96 fs structure
分子名称: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Weinert, T, Wranik, M, Seidel, H.-P, Church, J, Steinmetz, M.O, Schapiro, I, Standfuss, J.
登録日2023-08-31
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural transitions in an azobenzene photoswitch at near-atomic resolution
To Be Published
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8HNP
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BU of 8hnp by Molmil
Archaeal transcription factor Mutant
分子名称: Archaeal transcription regulator
著者Bae, D.W, Cha, S.S.
登録日2022-12-08
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献An archaeal transcription factor EnfR with a novel 'eighth note' fold controls hydrogen production of a hyperthermophilic archaeon Thermococcus onnurineus NA1.
Nucleic Acids Res., 51, 2023
8HNO
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BU of 8hno by Molmil
Archaeal transcription factor Wild type
分子名称: Archaeal transcription regulator
著者Bae, D.W, Cha, S.S.
登録日2022-12-08
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献An archaeal transcription factor EnfR with a novel 'eighth note' fold controls hydrogen production of a hyperthermophilic archaeon Thermococcus onnurineus NA1.
Nucleic Acids Res., 51, 2023
2GCP
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BU of 2gcp by Molmil
Crystal structure of the human RhoC-GSP complex
分子名称: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, ...
著者Dias, S.M.G, Cerione, R.A.
登録日2006-03-14
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献X-ray Crystal Structures Reveal Two Activated States for RhoC.
Biochemistry, 46, 2007
2FOW
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BU of 2fow by Molmil
THE RNA BINDING DOMAIN OF RIBOSOMAL PROTEIN L11: THREE-DIMENSIONAL STRUCTURE OF THE RNA-BOUND FORM OF THE PROTEIN, NMR, 26 STRUCTURES
分子名称: RIBOSOMAL PROTEIN L11
著者Hinck, A.P, Markus, M.A, Huang, S, Grzesiek, S, Kustanovich, I, Draper, D.E, Torchia, D.A.
登録日1997-05-26
公開日1997-11-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The RNA binding domain of ribosomal protein L11: three-dimensional structure of the RNA-bound form of the protein and its interaction with 23 S rRNA.
J.Mol.Biol., 274, 1997
2GDA
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BU of 2gda by Molmil
REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN
分子名称: GLUCOCORTICOID RECEPTOR, ZINC ION
著者Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T.
登録日1994-03-15
公開日1994-06-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
7UPQ
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BU of 7upq by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
分子名称: DHT03 protein A, DHT03 protein B, DHT03 protein C
著者Chang, Y, Bhabha, G, Ekiert, D.C.
登録日2022-04-16
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
2J1P
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BU of 2j1p by Molmil
Geranylgeranyl diphosphate synthase from Sinapis alba in complex with GGPP
分子名称: BETA-MERCAPTOETHANOL, GERANYLGERANYL DIPHOSPHATE, GERANYLGERANYL PYROPHOSPHATE SYNTHETASE, ...
著者Kloer, D.P, Welsch, R, Beyer, P, Schulz, G.E.
登録日2006-08-15
公開日2007-01-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Reaction Geometry of Geranylgeranyl Diphosphate Synthase from Sinapis Alba.
Biochemistry, 45, 2006
7UPO
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BU of 7upo by Molmil
Crystal structure of designed heterotrimeric assembly DHT03
分子名称: DHT03 protein A, DHT03 protein B, DHT03 protein C
著者Chang, Y, Bhabha, G, Ekiert, D.C.
登録日2022-04-16
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022

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