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5I8U
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BU of 5i8u by Molmil
Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant
分子名称: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B.
登録日2016-02-19
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
8OFD
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BU of 8ofd by Molmil
Crystal structure of beta-conglutin from Lupinus albus refined to 2.81 A
分子名称: ACETATE ION, Conglutin beta 1, POTASSIUM ION, ...
著者Dolot, R.M, O'Sullivan, C.K, Jauset-Rubio, M.
登録日2023-03-15
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献First crystal structure of beta-conglutin, a major lupin allergen from Lupinus albus seeds
To Be Published
1MRB
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BU of 1mrb by Molmil
THREE-DIMENSIONAL STRUCTURE OF RABBIT LIVER CD7 METALLOTHIONEIN-2A IN AQUEOUS SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE
分子名称: CADMIUM ION, CD7 METALLOTHIONEIN-2A
著者Braun, W, Arseniev, A, Schultze, P, Woergoetter, E, Wagner, G, Vasak, M, Kaegi, J.H.R, Wuthrich, K.
登録日1990-05-14
公開日1991-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of rabbit liver [Cd7]metallothionein-2a in aqueous solution determined by nuclear magnetic resonance.
J.Mol.Biol., 201, 1988
4YLQ
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BU of 4ylq by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
分子名称: CALCIUM ION, Coagulation factor VII, N-PROPANOL, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2015-03-05
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
1NUA
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BU of 1nua by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-01-31
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
5L7G
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BU of 5l7g by Molmil
MCR IN COMPLEX WITH ligand
分子名称: 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ...
著者Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
登録日2016-06-03
公開日2016-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5LAW
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BU of 5law by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
分子名称: 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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BU of 5laz by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
分子名称: 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAV
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BU of 5lav by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
分子名称: (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
分子名称: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
1QE3
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BU of 1qe3 by Molmil
PNB ESTERASE
分子名称: PARA-NITROBENZYL ESTERASE, SULFATE ION, ZINC ION
著者Spiller, B, Gershenson, A, Arnold, F, Stevens, R.
登録日1999-07-12
公開日1999-07-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A structural view of evolutionary divergence.
Proc.Natl.Acad.Sci.USA, 96, 1999
4Z6A
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BU of 4z6a by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor
分子名称: CALCIUM ION, CITRIC ACID, Coagulation factor VII, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2015-04-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
4ZMA
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BU of 4zma by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor
分子名称: CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2015-05-02
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
分子名称: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
著者Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-07-16
公開日2001-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
5VSG
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BU of 5vsg by Molmil
Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature
分子名称: Super Helical Repeat Peptide SHR-FF
著者Mondal, S, Sawaya, M.R, Eisenberg, D.S, Gazit, E.
登録日2017-05-11
公開日2018-06-27
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition of Metastable Cross-alpha Crystals into Cross-beta Fibrils by beta-Turn Flipping.
J.Am.Chem.Soc., 141, 2019
1NVD
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BU of 1nvd by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-02-03
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NR5
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BU of 1nr5 by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, NAD and carbaphosphonate
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, COBALT (II) ION, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-01-23
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NVE
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BU of 1nve by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-02-03
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
2FHL
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BU of 2fhl by Molmil
avidin related protein (AVR4)-BNA complex
分子名称: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Prizant, M.
登録日2005-12-26
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Factors dictating the pseudocatalytic efficiency of avidins
J.Mol.Biol., 358, 2006
2FHN
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BU of 2fhn by Molmil
Avidin related protein AVR4 (C122S, K109I mutant) in complex with BNA
分子名称: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Prizant, M.
登録日2005-12-26
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Factors dictating the pseudocatalytic efficiency of avidins
J.Mol.Biol., 358, 2006
6XYT
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BU of 6xyt by Molmil
Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
著者Kovalev, K, Gushchin, I, Gordeliy, V.
登録日2020-01-31
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
7ZOA
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BU of 7zoa by Molmil
cryo-EM structure of CGT ABC transporter in presence of CBG substrate
分子名称: Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, Cyclooctadecakis-(1-2)-(beta-D-glucopyranose)
著者Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D.
登録日2022-04-24
公開日2022-12-07
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
7ZO8
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BU of 7zo8 by Molmil
cryo-EM structure of CGT ABC transporter in nanodisc apo state
分子名称: Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, DIUNDECYL PHOSPHATIDYL CHOLINE
著者Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D.
登録日2022-04-24
公開日2022-12-07
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
7ZO9
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BU of 7zo9 by Molmil
cryo-EM structure of CGT ABC transporter in vanadate trapped state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION
著者Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D.
登録日2022-04-24
公開日2022-12-07
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
7ZKY
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BU of 7zky by Molmil
Amyloid fibril from human systemic AA amyloidosis (vascular variant)
分子名称: Amyloid protein A
著者Banerjee, S, Schmidt, M, Faendrich, M.
登録日2022-04-13
公開日2022-12-07
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Amyloid fibril structure from the vascular variant of systemic AA amyloidosis.
Nat Commun, 13, 2022

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