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6ZX3
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BU of 6zx3 by Molmil
OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution
分子名称: GLYCEROL, PROLINE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Schimdt, T.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
4LNZ
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BU of 4lnz by Molmil
Crystal structure of human Myosin 5b globular domain
分子名称: Unconventional myosin-Vb
著者Velvarska, H, Niessing, D.
登録日2013-07-12
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural insights into the globular tails of the human type v myosins myo5a, myo5b, and myo5c.
Plos One, 8, 2013
7A4Q
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BU of 7a4q by Molmil
The Crystal structure of RO4613269 bound to CK2alpha
分子名称: 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-08-20
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
7NPQ
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BU of 7npq by Molmil
Crystal structure of the human LL37(17-29) I24C mutant antimicrobial peptide
分子名称: Cathelicidin antimicrobial peptide
著者Landau, M, Engelberg, Y.
登録日2021-02-28
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rare by Natural Selection: Disulfide-Bonded Supramolecular Antimicrobial Peptides.
Biomacromolecules, 23, 2022
4MDR
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BU of 4mdr by Molmil
Crystal structure of adaptor protein complex 4 (AP-4) mu4 subunit C-terminal domain D190A mutant, in complex with a sorting peptide from the amyloid precursor protein (APP)
分子名称: AP-4 complex subunit mu-1, Amyloid beta A4 protein
著者Ross, B.H, Lin, Y, Corales, E.A, Burgos, P.V, Mardones, G.A.
登録日2013-08-23
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Characterization of Cargo-Binding Sites on the mu 4-Subunit of Adaptor Protein Complex 4.
Plos One, 9, 2014
4MDY
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BU of 4mdy by Molmil
Crystal structure of periplasmic solute binding protein from Mycobacterium smegmatis str. MC2 155
分子名称: DI(HYDROXYETHYL)ETHER, Periplasmic binding protein
著者Chang, C, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-08-23
公開日2013-09-04
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of periplasmic solute binding protein from Mycobacterium smegmatis str. MC2 155
To be Published
4LOS
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BU of 4los by Molmil
C1s CUB2-CCP1
分子名称: CALCIUM ION, Complement C1s subcomponent heavy chain
著者Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E, Gingras, A.R.
登録日2013-07-13
公開日2013-08-07
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LOT
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BU of 4lot by Molmil
C1s CUB2-CCP1-CCP2
分子名称: Complement C1s subcomponent heavy chain
著者Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E.
登録日2013-07-13
公開日2013-08-07
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4M07
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BU of 4m07 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F
分子名称: 1,2-ETHANEDIOL, Chlorite dismutase, GLYCEROL, ...
著者Hagmueller, A, Gysel, K, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
4D8D
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BU of 4d8d by Molmil
Crystal structure of HIV-1 NEF Fyn-SH3 R96W variant
分子名称: GLYCEROL, Protein Nef, Tyrosine-protein kinase Fyn
著者Arold, S.T, Hoh, F, Dumas, C.
登録日2012-01-10
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5201 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
4M95
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BU of 4m95 by Molmil
d(ATCCGTTATAACGGAT)complexed with Moloney Murine Leukemia virus reverse transcriptase catalytic fragment
分子名称: 1,2-ETHANEDIOL, 5' d(ATCCGTTA) 3', 5' d(TAACGGAT) 3', ...
著者Singh, I.
登録日2013-08-14
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The structure of an authentic spore photoproduct lesion in DNA suggests a basis for recognition.
Acta Crystallogr.,Sect.D, 70, 2014
4MF3
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BU of 4mf3 by Molmil
Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist
分子名称: (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1
著者Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L.
登録日2013-08-27
公開日2014-05-07
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
7N2G
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BU of 7n2g by Molmil
MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES
分子名称: CPEB3
著者Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
登録日2021-05-29
公開日2022-06-01
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.201 Å)
主引用文献Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N2J
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BU of 7n2j by Molmil
MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES
分子名称: prion protein
著者Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
登録日2021-05-29
公開日2022-06-01
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.5 Å)
主引用文献Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N2K
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BU of 7n2k by Molmil
MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES
分子名称: prion New1p
著者Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
登録日2021-05-29
公開日2022-06-01
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.301 Å)
主引用文献Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N1S
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BU of 7n1s by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
分子名称: Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION
著者Fernandez, D, Li, L, Brown, J.A, Carozza, J.A.
登録日2021-05-28
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
4LR6
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BU of 4lr6 by Molmil
Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment
分子名称: 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID
著者Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
7N2Y
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BU of 7n2y by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing a dual Tris-thiolate Binding Site for Heavy Metal Complexes
分子名称: Apo-(GRAND CoilSerL16CL23C)3, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2021-05-30
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
7N2E
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BU of 7n2e by Molmil
MicroED structure of human CPEB3 segment (154-161) straight polymorph
分子名称: CPEB3
著者Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
登録日2021-05-29
公開日2022-06-01
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1 Å)
主引用文献Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
分子名称: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
著者Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
登録日2013-07-23
公開日2014-05-21
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
4MDQ
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BU of 4mdq by Molmil
Structure of a novel submicromolar MDM2 inhibitor
分子名称: 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2
著者Bista, M, Popowicz, G, Holak, T.A.
登録日2013-08-23
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
4MFA
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BU of 4mfa by Molmil
Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template O6MG and incoming TTP
分子名称: DNA polymerase beta, MAGNESIUM ION, PHOSPHATE ION, ...
著者Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-08-27
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structures of human DNA polymerase beta inserting bases opposite templating O6MG
To be Published
4MI0
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BU of 4mi0 by Molmil
Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2)
分子名称: Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
4LOA
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BU of 4loa by Molmil
X-ray structure of the de-novo design amidase at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target OR398
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, De-novo design amidase
著者Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Khersonsky, O, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-07-12
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献Northeast Structural Genomics Consortium Target OR398
To be Published
4LOR
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BU of 4lor by Molmil
C1s CUB1-EGF-CUB2 in complex with a collagen-like peptide from C1q
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1s subcomponent heavy chain, ...
著者Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E.
登録日2013-07-13
公開日2013-08-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013

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