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7TBN
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LOV2-DARPIN fusion : D11
分子名称: CARBONATE ION, D11 LOV2-DARPin fusion, GLYCEROL
著者Mittl, P.
登録日2021-12-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献LOV2-DARPIN fusion : D11
To Be Published
7TBO
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BU of 7tbo by Molmil
LOV2-DARPIN fusion : D12
分子名称: D12 LOV2-DARPin fusion, GLYCEROL
著者Mittl, P.
登録日2021-12-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献LOV2-DARPIN fusion : D12
To Be Published
7TCD
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BU of 7tcd by Molmil
LOV2-DARPIN fusion: D13
分子名称: CHLORIDE ION, D13 LOV2-DARPin fusion, FLAVIN MONONUCLEOTIDE, ...
著者Mittl, P.
登録日2021-12-23
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献LOV2-DARPIN fusion: D13
To Be Published
7TBQ
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BU of 7tbq by Molmil
LOV2-DARPIN fusion : D7
分子名称: CHLORIDE ION, D7 LOV2-DARPin fusion, FLAVIN MONONUCLEOTIDE, ...
著者Mittl, P.
登録日2021-12-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.678 Å)
主引用文献LOV2-DARPIN fusion : D7
To Be Published
1T6W
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BU of 1t6w by Molmil
RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES
分子名称: CALCIUM ION, hypothetical protein XP_346638
著者Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J.
登録日2004-05-07
公開日2005-02-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Design of a calcium-binding protein with desired structure in a cell adhesion molecule.
J.Am.Chem.Soc., 127, 2005
1STO
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BU of 1sto by Molmil
CRYSTAL STRUCTURE OF OROTATE PHOSPHORIBOSYLTRANSFERASE
分子名称: HYDROXIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE
著者Scapin, G, Grubmeyer, C, Sacchettini, J.C.
登録日1993-12-20
公開日1994-05-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of orotate phosphoribosyltransferase.
Biochemistry, 33, 1994
1TJB
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BU of 1tjb by Molmil
Crystal Structure of a High Affinity Lanthanide-Binding Peptide (LBT)
分子名称: CHLORIDE ION, Lanthanide-Binding Peptide, TERBIUM(III) ION
著者Nitz, M, Sherawat, M, Franz, K.J, Peisach, E, Allen, K.N, Imperiali, B.
登録日2004-06-03
公開日2004-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Origin of the High Affinity of a Chemically Evolved Lanthanide-Binding Peptide
Angew.Chem.Int.Ed.Engl., 43, 2004
6Q1W
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BU of 6q1w by Molmil
Coiled-coil Trimer with Glu:Val:Lys Triad
分子名称: Coiled-coil Trimer with Glu:Val:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-08-06
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
7Q3J
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BU of 7q3j by Molmil
Computationally designed thioredoxin subjected to stability optimizing mutations.
分子名称: GLYCEROL, MM9
著者Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P.
登録日2021-10-27
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
3E78
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BU of 3e78 by Molmil
Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
分子名称: CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ...
著者Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
登録日2008-08-18
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
7AX0
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BU of 7ax0 by Molmil
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a
分子名称: Keggin (STA), PHOSPHATE ION, SconeE
著者Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D.
登録日2020-11-09
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
7B4T
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BU of 7b4t by Molmil
Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7B4U
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BU of 7b4u by Molmil
Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
著者Arora, R, Benson, T.E.
登録日2016-05-23
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
5KKG
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BU of 5kkg by Molmil
Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ...
著者Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
登録日2016-06-21
公開日2017-07-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
5VF1
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BU of 5vf1 by Molmil
X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
分子名称: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-GLU-ALA-PHE-MEA-VAL-LEU-LYS
著者Chen, K.H, Corro, K.A, Le, S.P, Nowick, J.S.
登録日2017-04-06
公開日2017-06-21
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic beta-Sheet Containing A beta 16-22.
J. Am. Chem. Soc., 139, 2017
8V3B
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BU of 8v3b by Molmil
Computational Designed Nanocage O43_129_+4
分子名称: O43_129_+4 component A, O43_129_+4 component B
著者Carr, K.D, Weidle, C, Borst, A.J.
登録日2023-11-27
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
6O3N
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BU of 6o3n by Molmil
Cross-alpha Amyloid-like Structure alphaAmA
分子名称: Cross-alpha Amyloid-like Structure alphaAmA
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2019-02-26
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures
Nat. Chem. Biol., 14, 2018
6OWD
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BU of 6owd by Molmil
Arginine Containing Reengineered Coiled-Coiled Dimer to Examine the Impact of Proximal Cation Identity on Hydrophobically-Driven Assembly
分子名称: CHLORIDE ION, R+7
著者Biok, N.A, Bingman, C.A, Gellman, S.H.
登録日2019-05-09
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Retention of Coiled-Coil Dimer Formation in the Absence of Ion Pairing at Positions Flanking the Hydrophobic Core.
Biochemistry, 58, 2019
8A1A
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BU of 8a1a by Molmil
Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, ...
著者Mittl, P.R.E.
登録日2022-06-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
Acta Crystallogr D Struct Biol, 78, 2022
8A19
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Structure of a leucinostatin derivative determined by host lattice display : L1E4V1 construct
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, ...
著者Mittl, P.R.E.
登録日2022-06-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.358 Å)
主引用文献Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
Acta Crystallogr D Struct Biol, 78, 2022
7ZI1
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BU of 7zi1 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor
分子名称: Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI9
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BU of 7zi9 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor
分子名称: 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI3
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BU of 7zi3 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor
分子名称: 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI6
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BU of 7zi6 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor
分子名称: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023

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