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5VIL
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Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6)
分子名称: 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
分子名称: T33-53H-B
著者Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
登録日2017-04-24
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
1TM4
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BU of 1tm4 by Molmil
crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-10
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
5W14
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BU of 5w14 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S03043
分子名称: 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
1SXA
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BU of 1sxa by Molmil
CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION
分子名称: COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION
著者Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S.
登録日1995-03-17
公開日1995-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
5VIG
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BU of 5vig by Molmil
Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII
分子名称: CITRATE ANION, Fab heavy chain, Fab light chain, ...
著者Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J.
登録日2017-04-16
公開日2017-05-03
最終更新日2017-05-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
1SSZ
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BU of 1ssz by Molmil
Conformational Mapping of Mini-B: An N-terminal/C-terminal Construct of Surfactant Protein B Using 13C-Enhanced Fourier Transform Infrared (FTIR) Spectroscopy
分子名称: Pulmonary surfactant-associated protein B
著者Waring, A.J, Walther, F.J, Gordon, L.M, Hernandez-Juviel, J.M, Hong, T, Sherman, M.A, Alonso, C, Alig, T, Braun, A, Bacon, D, Zasadzinski, J.A.
登録日2004-03-24
公開日2004-06-15
最終更新日2019-04-24
実験手法INFRARED SPECTROSCOPY
主引用文献The role of charged amphipathic helices in the structure and function of surfactant protein B.
J.Pept.Res., 66, 2005
1URI
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BU of 1uri by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY GLN
分子名称: AZURIN, COPPER (II) ION, SULFATE ION
著者Romero, A, Nar, H, Huber, R, Messerschmidt, A.
登録日1996-11-14
公開日1997-04-01
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献X-ray analysis and spectroscopic characterization of M121Q azurin. A copper site model for stellacyanin.
J.Mol.Biol., 229, 1993
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
分子名称: Bot.0671.2, Botulinum neurotoxin type B
著者Jin, R, Lam, K, Yao, G.
登録日2017-04-15
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
1UNO
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BU of 1uno by Molmil
Crystal structure of a d,l-alternating peptide
分子名称: H-(L-TYR-D-TYR)4-LYS-OH
著者Alexopoulos, E, Kuesel, A, Uson, I, Diederichsen, U, Sheldrick, G.M.
登録日2003-09-11
公開日2004-09-24
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Solution and Structure of an Alternating D,L-Peptide
Acta Crystallogr.,Sect.D, 60, 2004
5VLI
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Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
分子名称: 2,5,8,11-TETRAOXATRIDECANE, 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Bernard, S.M, Wilson, I.A.
登録日2017-04-25
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
1UY4
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BU of 1uy4 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
著者Van Bueren, A.L, Boraston, A.B.
登録日2004-03-01
公開日2004-06-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
5VR6
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BU of 5vr6 by Molmil
Structure of Human Sts-1 histidine phosphatase domain with sulfate bound
分子名称: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein B
著者Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
登録日2017-05-10
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
5TG5
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BU of 5tg5 by Molmil
OXA-24/40 in Complex with Boronic Acid BA8
分子名称: BICARBONATE ION, Beta-lactamase, METHANETHIOL, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5TK0
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BU of 5tk0 by Molmil
Lysozyme structure collected with 3D printed polymer mounts
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kilah, N.L, MacDonald, N, Bunton, G, Park, A.Y, Breadmore, M.C.
登録日2016-10-06
公開日2017-04-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.
Anal. Chem., 89, 2017
5TG7
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OXA-24/40 in Complex with Boronic Acid BA3
分子名称: (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
1TN5
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BU of 1tn5 by Molmil
Structure of bacterorhodopsin mutant K41P
分子名称: Bacteriorhodopsin, RETINAL
著者Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U.
登録日2004-06-11
公開日2004-10-19
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
1TO1
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BU of 1to1 by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-11
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
1TO2
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BU of 1to2 by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-11
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
1TN0
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BU of 1tn0 by Molmil
Structure of bacterorhodopsin mutant A51P
分子名称: Bacteriorhodopsin, RETINAL
著者Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U.
登録日2004-06-11
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
1TRM
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BU of 1trm by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF ASN102 MUTANT OF TRYPSIN. ROLE OF ASP102 IN SERINE PROTEASE CATALYSIS
分子名称: BENZAMIDINE, CALCIUM ION, TRYPSIN
著者Sprang, S, Standing, T, Fletterick, R.J.
登録日1987-10-21
公開日1988-07-16
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The three-dimensional structure of Asn102 mutant of trypsin: role of Asp102 in serine protease catalysis.
Science, 237, 1987
1UY3
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BU of 1uy3 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
著者Van Bueren, A.L, Boraston, A.B.
登録日2004-03-01
公開日2004-06-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1UY2
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BU of 1uy2 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
著者Van Bueren, A.L, Boraston, A.B.
登録日2004-03-01
公開日2004-06-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1UY1
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Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
著者Van Bueren, A.L, Boraston, A.B.
登録日2004-03-01
公開日2004-06-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1ULA
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BU of 1ula by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
分子名称: PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
著者Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
登録日1991-11-05
公開日1993-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991

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