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3DS9
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BU of 3ds9 by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
分子名称: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
著者Zuniga, J.E, Fenn, T.
登録日2008-07-11
公開日2008-09-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3DSS
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BU of 3dss by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)
分子名称: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
3M9C
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BU of 3m9c by Molmil
Crystal structure of the membrane domain of respiratory complex I from Escherichia coli
分子名称: NADH-quinone oxidoreductase subunit NuoL, NADH-quinone oxidoreductase subunit NuoM, NADH-quinone oxidoreductase subunit NuoN, ...
著者Efremov, R.G, Baradaran, R, Sazanov, L.A.
登録日2010-03-22
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献The architecture of respiratory complex I
Nature, 465, 2010
4KC5
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BU of 4kc5 by Molmil
Crystal structure of the C-terminal part of RhiE from Burkholderia rhizoxinica
分子名称: GLYCEROL, RhiE protein
著者Zocher, G, Heim, J.B, Stehle, T.
登録日2013-04-24
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Vinylogous chain branching catalysed by a dedicated polyketide synthase module.
Nature, 502, 2013
3MDW
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BU of 3mdw by Molmil
The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate
分子名称: GLYCEROL, N-[(E)-iminomethyl]-L-aspartic acid, N-formimino-L-Glutamate Iminohydrolase, ...
著者Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C.
登録日2010-03-30
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8979 Å)
主引用文献Structure of N-Formimino-l-glutamate Iminohydrolase from Pseudomonas aeruginosa.
Biochemistry, 54, 2015
3DTG
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BU of 3dtg by Molmil
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
分子名称: Branched-chain amino acid aminotransferase, GLYCEROL, O-benzylhydroxylamine, ...
著者Castell, A, Unge, T.
登録日2008-07-15
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of mycobacterial branched chain aminotransferase - implications for inhibitor design
To be Published
4KEC
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BU of 4kec by Molmil
SbHCT-complex form
分子名称: (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid, COENZYME A, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase
著者Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C.
登録日2013-04-25
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases.
Plant Physiol., 162, 2013
4KEK
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BU of 4kek by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant R176Q
分子名称: Ryanodine receptor 2, SULFATE ION
著者Kimlicka, L, Van Petegem, F.
登録日2013-04-25
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.146 Å)
主引用文献Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
3D8Z
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BU of 3d8z by Molmil
RNase A- 5'-Deoxy-5'-N-pyrrolidinothymidine complex
分子名称: 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic
著者Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-05-26
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation
J.Med.Chem., 52, 2009
4UCH
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BU of 4uch by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE
分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2014-12-03
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3D9S
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BU of 3d9s by Molmil
Human Aquaporin 5 (AQP5) - High Resolution X-ray Structure
分子名称: Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
著者Horsefield, R, Norden, K, Fellert, M, Backmark, A, Tornroth-Horsefield, S, Terwisscha Van Scheltinga, A.C, Kvassman, J, Kjellbom, P, Johanson, U, Neutze, R.
登録日2008-05-27
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution x-ray structure of human aquaporin 5
Proc.Natl.Acad.Sci.Usa, 105, 2008
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
分子名称: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
著者Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
登録日2010-03-24
公開日2010-05-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
4UDP
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BU of 4udp by Molmil
Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the oxidized state
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE
著者Dijkman, W, Binda, C, Fraaije, M, Mattevi, A.
登録日2014-12-11
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
3MB5
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BU of 3mb5 by Molmil
Crystal structure of P. abyssi tRNA m1A58 methyltransferase in complex with S-adenosyl-L-methionine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, S-ADENOSYLMETHIONINE, ...
著者Guelorget, A, Golinelli-Pimpaneau, B.
登録日2010-03-25
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the hyperthermostability and unusual region-specificity of archaeal Pyrococcus abyssi tRNA m1A57/58 methyltransferase.
Nucleic Acids Res., 38, 2010
4KFG
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BU of 4kfg by Molmil
The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor.
分子名称: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, SULFATE ION
著者Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
登録日2013-04-26
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
3DR6
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BU of 3dr6 by Molmil
Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, GLYCEROL, yncA
著者Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-07-10
公開日2008-09-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Funded by the national institute of allergy and infectious diseases of nih (contract number hhsn272200700058c).
To be Published
4UDA
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BU of 4uda by Molmil
MR in complex with dexamethasone
分子名称: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
著者Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
登録日2014-12-09
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4KFU
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BU of 4kfu by Molmil
Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with AMPPCP
分子名称: CITRATE ANION, Genome packaging NTPase B204, MAGNESIUM ION, ...
著者Happonen, L.J, Oksanen, E, Kajander, T, Goldman, A, Butcher, S.
登録日2013-04-27
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2.
J.Virol., 87, 2013
6PSX
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BU of 6psx by Molmil
Cryo-EM structure of S. cerevisiae Drs2p-Cdc50p in the PI4P-activated form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
著者Bai, L, Li, H.
登録日2019-07-14
公開日2019-09-25
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Autoinhibition and activation mechanisms of the eukaryotic lipid flippase Drs2p-Cdc50p.
Nat Commun, 10, 2019
7SOB
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BU of 7sob by Molmil
SARS-CoV-2 S B.1.617.1 kappa variant + S309 + S2L20 Global Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-10-29
公開日2021-11-17
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
3MGP
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BU of 3mgp by Molmil
Binding of Cobalt ions to the Nucleosome Core Particle
分子名称: CHLORIDE ION, COBALT (II) ION, DNA (147-MER), ...
著者Mohideen, K, Muhammad, R, Davey, C.A.
登録日2010-04-07
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Perturbations in nucleosome structure from heavy metal association.
Nucleic Acids Res., 38, 2010
3DAB
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BU of 3dab by Molmil
Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain
分子名称: Cellular tumor antigen p53, Mdm4 protein
著者Popowicz, G.M, Czarna, A, Holak, T.A.
登録日2008-05-29
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain.
Cell Cycle, 7, 2008
4KGC
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BU of 4kgc by Molmil
Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM
分子名称: (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ...
著者Adhireksan, Z, Davey, C.A.
登録日2013-04-29
公開日2014-03-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
3DAQ
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BU of 3daq by Molmil
Crystal structure of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus
分子名称: CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL
著者Dobson, R.C.J, Burgess, B.R, Jameson, G.B, Gerrard, J.A, Parker, M.W, Perugini, M.A.
登録日2008-05-29
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and evolution of a novel dimeric enzyme from a clinically-important bacterial pathogen.
J.Biol.Chem., 2008
4KH6
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BU of 4kh6 by Molmil
Toxoplasma gondii NTPDase1 C258S/C268S E493G crystallized with Mg and AMPNP
分子名称: 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, MAGNESIUM ION, Nucleoside-triphosphatase 2
著者Krug, U, Totzauer, R, Strater, N.
登録日2013-04-30
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base.
Chembiochem, 14, 2013

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