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3H70
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BU of 3h70 by Molmil
Crystal structure of o-succinylbenzoic acid synthetase from staphylococcus aureus Complexed with mg in the active site
分子名称: MAGNESIUM ION, O-succinylbenzoic acid (OSB) synthetase
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-04-24
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2K0U
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BU of 2k0u by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
分子名称: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
著者Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
登録日2008-02-15
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
2K0V
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BU of 2k0v by Molmil
High Resolution Solution NMR Structures of Undamaged DNA Dodecamer Duplex
分子名称: DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
著者Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
登録日2008-02-15
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
3D0E
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BU of 3d0e by Molmil
Crystal structure of human Akt2 in complex with GSK690693
分子名称: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Smallwood, A.
登録日2008-05-01
公開日2008-10-21
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
J.Med.Chem., 51, 2008
2K0T
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BU of 2k0t by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
分子名称: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
著者Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
登録日2008-02-14
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
5IKF
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BU of 5ikf by Molmil
Crystal structure of the C-terminal domain of the Mit1 nucleosome remodeler in complex with Clr1
分子名称: CHLORIDE ION, Chromatin remodeling factor mit1, Cryptic loci regulator protein 1, ...
著者Brugger, C, Schalch, T.
登録日2016-03-03
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016
5A9Y
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BU of 5a9y by Molmil
Structure of ppGpp BipA
分子名称: GTP-BINDING PROTEIN, GUANOSINE-5',3'-TETRAPHOSPHATE
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
登録日2015-07-23
公開日2015-08-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
5T1O
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BU of 5t1o by Molmil
Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424)
分子名称: Phosphocarrier protein NPr, Phosphoenolpyruvate-protein phosphotransferase PtsP
著者Strickland, M, Stanley, A.M, Wang, G, Schwieters, C.D, Buchanan, S, Peterkofsky, A, Tjandra, N.
登録日2016-08-19
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Structure of the NPr:EIN(Ntr) Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems.
Structure, 24, 2016
8T1I
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BU of 8t1i by Molmil
Atomic model of the mammalian Mediator complex with MED26 subunit
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-02
公開日2024-06-12
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.68 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
5IKJ
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BU of 5ikj by Molmil
Structure of Clr2 bound to the Clr1 C-terminus
分子名称: CHLORIDE ION, Cryptic loci regulator 2, Cryptic loci regulator protein 1, ...
著者Pfister, Y, Schalch, T.
登録日2016-03-03
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016
8T9D
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BU of 8t9d by Molmil
CryoEM structure of TR-TRAP
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-23
公開日2024-07-03
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
5AVA
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BU of 5ava by Molmil
Crystal structure of PHA-E lectin in complex with bisected glycan
分子名称: CALCIUM ION, Erythroagglutinin, MANGANESE (II) ION, ...
著者Nagae, M, Yamaguchi, Y.
登録日2015-06-12
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
5B1X
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BU of 5b1x by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in complex with biantennary glycan
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, C-type lectin domain family 4 member A, CALCIUM ION
著者Nagae, M, Yamaguchi, Y.
登録日2015-12-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
8TYP
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BU of 8typ by Molmil
Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
分子名称: 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Geisbrecht, B.V.
登録日2023-08-25
公開日2023-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
7C4U
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BU of 7c4u by Molmil
MicroED structure of orthorhombic Vancomycin at 1.2 A resolution
分子名称: CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose
著者Fan, Q, Zhou, H, Li, X, Wang, J.
登録日2020-05-18
公開日2020-08-12
最終更新日2021-03-17
実験手法ELECTRON CRYSTALLOGRAPHY (1.2 Å)
主引用文献Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JFP
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BU of 6jfp by Molmil
Crystal structure of the beta-glucosidase Bgl15
分子名称: beta-D-glucopyranose, beta-glucosidase 15
著者Xie, W, Chen, R.
登録日2019-02-11
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
J.Agric.Food Chem., 68, 2020
7C4V
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BU of 7c4v by Molmil
MicroED structure of anorthic Vancomycin at 1.05 A resolution
分子名称: CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose
著者Fan, Q, Zhou, H, Li, X, Wang, J.
登録日2020-05-18
公開日2020-08-12
最終更新日2023-11-29
実験手法ELECTRON CRYSTALLOGRAPHY (1.05 Å)
主引用文献Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
分子名称: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5K5E
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BU of 5k5e by Molmil
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者De la Mora, E, Dighe, S.N, Deora, G.S, Ross, B.P, Nachon, F, Brazzolotto, X.
登録日2016-05-23
公開日2016-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.
J.Med.Chem., 59, 2016
7KP6
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BU of 7kp6 by Molmil
Structure of Ack1 kinase in complex with a selective inhibitor
分子名称: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
著者Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
登録日2020-11-10
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
6K9H
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Human LXR-beta in complex with an agonist
分子名称: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
著者Zhang, Z, Zhou, H.
登録日2019-06-15
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020

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