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6FMF
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BU of 6fmf by Molmil
Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure
分子名称: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid
著者Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P.
登録日2018-01-31
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.811 Å)
主引用文献Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
1GGD
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BU of 1ggd by Molmil
CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-LEUCIL-PHENYLALANINE ALDEHYDE BOUND AT THE ACTIVE SITE
分子名称: 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A.
登録日2000-08-14
公開日2000-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2000
1G5V
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BU of 1g5v by Molmil
SOLUTION STRUCTURE OF THE TUDOR DOMAIN OF THE HUMAN SMN PROTEIN
分子名称: SURVIVAL MOTOR NEURON PROTEIN 1
著者Selenko, P, Sprangers, R, Stier, G, Buehler, D, Fischer, U, Sattler, M.
登録日2000-11-02
公開日2001-05-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献SMN tudor domain structure and its interaction with the Sm proteins.
Nat.Struct.Biol., 8, 2001
1GKR
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BU of 1gkr by Molmil
L-Hydantoinase (Dihydropyrimidinase) from Arthrobacter aurescens
分子名称: NON-ATP DEPENDENT L-SELECTIVE HYDANTOINASE, ZINC ION
著者Abendroth, J, Niefind, K, Schomburg, D.
登録日2001-08-20
公開日2002-07-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of L-hydantoinase from Arthobacter aurescens leads to an understanding of dihydropyrimidinase substrate and enantio specificity.
Biochemistry, 41, 2002
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
6FXQ
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BU of 6fxq by Molmil
Structure of coproheme decarboxylase from Listeria monocytogenes during turnover
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ...
著者Hofbauer, S, Pfanzagl, V, Mlynek, G, Puehringer, D.
登録日2018-03-09
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
6I48
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BU of 6i48 by Molmil
Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
1JS0
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BU of 1js0 by Molmil
Crystal Structure of 3D Domain-swapped RNase A Minor Trimer
分子名称: RIBONUCLEASE A, SULFATE ION
著者Liu, Y, Gotte, G, Libonati, M, Eisenberg, D.
登録日2001-08-15
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the two 3D domain-swapped RNase A trimers.
Protein Sci., 11, 2002
5N6I
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BU of 5n6i by Molmil
Crystal structure of mouse cGAS in complex with 39 bp DNA
分子名称: Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ...
著者Andreeva, L, Kostrewa, D, Hopfner, K.-P.
登録日2017-02-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders.
Nature, 549, 2017
4YN0
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BU of 4yn0 by Molmil
Crystal structure of APP E2 domain in complex with DR6 CRD domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Amyloid beta A4 protein, MAGNESIUM ION, ...
著者Xu, K, Nikolov, D.
登録日2015-03-08
公開日2015-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of DR6 in complex with the amyloid precursor protein provides insight into death receptor activation.
Genes Dev., 29, 2015
1GKS
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BU of 1gks by Molmil
ECTOTHIORHODOSPIRA HALOPHILA CYTOCHROME C551 (REDUCED), NMR, 37 STRUCTURES
分子名称: CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
著者Bersch, B, Blackledge, M.J, Meyer, T.E, Marion, D.
登録日1996-07-16
公開日1997-01-27
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Ectothiorhodospira halophila ferrocytochrome c551: solution structure and comparison with bacterial cytochromes c.
J.Mol.Biol., 264, 1996
6FTQ
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BU of 6ftq by Molmil
Crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant T299C
分子名称: Beta-ureidopropionase
著者Dobritzsch, D, Maurer, D.
登録日2018-02-23
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure and pH-dependent allosteric regulation of human beta-ureidopropionase, an enzyme involved in anticancer drug metabolism.
Biochem. J., 475, 2018
2PEA
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BU of 2pea by Molmil
NMR Based Structure of the Closed Conformation of LYS48-Linked Di-Ubiquitin Using Experimental Global Rotational Diffusion Tensor from NMR Relaxation Measurements
分子名称: Ubiquitin
著者Ryabov, Y, Fushman, D.
登録日2007-04-02
公開日2007-07-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural assembly of multidomain proteins and protein complexes guided by the overall rotational diffusion tensor.
J.Am.Chem.Soc., 129, 2007
1PQS
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BU of 1pqs by Molmil
Solution structure of the C-terminal OPCA domain of yCdc24p
分子名称: Cell division control protein 24
著者Leitner, D, Wahl, M, Labudde, D, Diehl, A, Schmieder, P, Pires, J.R, Fossi, M, Leidert, M, Krause, G, Oschkinat, H.
登録日2003-06-19
公開日2003-07-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different beta-sheet topology.
Febs Lett., 579, 2005
5NJS
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BU of 5njs by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5V94
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BU of 5v94 by Molmil
Pekin duck egg lysozyme isoform III (DEL-III), cubic form
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ...
著者Langley, D.B, Christ, D.
登録日2017-03-22
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
1Y92
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BU of 1y92 by Molmil
Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease
分子名称: Seminal ribonuclease
著者Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
登録日2004-12-14
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
1PYY
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BU of 1pyy by Molmil
Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ...
著者Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A.
登録日2003-07-09
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
J.Biol.Chem., 278, 2003
5NJP
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BU of 5njp by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 1HEW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5NJQ
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BU of 5njq by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 4ET8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
4YET
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BU of 4yet by Molmil
X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD
分子名称: FE (III) ION, Superoxide dismutase
著者Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-02-24
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
2OSE
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BU of 2ose by Molmil
Crystal Structure of the Mimivirus Cyclophilin
分子名称: CHLORIDE ION, Probable peptidyl-prolyl cis-trans isomerase
著者Eisenmesser, E.Z, Thai, V, Renesto, P, Raoult, D.
登録日2007-02-05
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural, biochemical, and in vivo characterization of the first virally encoded cyclophilin from the Mimivirus.
J.Mol.Biol., 378, 2008
5VAS
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BU of 5vas by Molmil
Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form
分子名称: GLYCEROL, Lysozyme, PHOSPHATE ION
著者Christie, M, Christ, D, Langley, D.B.
登録日2017-03-27
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
分子名称: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
3UPC
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BU of 3upc by Molmil
A general strategy for the generation of human antibody variable domains with increased aggregation resistance
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
著者Dudgeon, K, Rouet, R, Kokmeijer, I, Langley, D.B, Christ, D.
登録日2011-11-17
公開日2012-06-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献General strategy for the generation of human antibody variable domains with increased aggregation resistance
Proc.Natl.Acad.Sci.USA, 109, 2012

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