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5CSR
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BU of 5csr by Molmil
Crystal structure of triosephosphate isomerase from Thermoplasma acidophilium
分子名称: CHLORIDE ION, GLYCEROL, Triosephosphate isomerase
著者Park, S.H, Kim, H.S, Song, M.K, Park, H.S, Han, B.W.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure and Stability of the Dimeric Triosephosphate Isomerase from the Thermophilic Archaeon Thermoplasma acidophilum.
Plos One, 10, 2015
4YLU
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BU of 4ylu by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
分子名称: ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein
著者Tomar, S, Mesecar, A.D.
登録日2015-03-05
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
6SO7
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BU of 6so7 by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 1-2
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
登録日2019-08-29
公開日2021-03-31
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献BamABCDE in MSP1D1 nanodisc ensemble 1-2
To Be Published
8VZD
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BU of 8vzd by Molmil
Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, Formyl-CoA and ADP
分子名称: 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase TbHACS, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A.
登録日2024-02-11
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
8CHE
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BU of 8che by Molmil
TLT-1 binding Fab of the bispecific antibody HMB-001 in complex with the TLT-1 stalk peptide
分子名称: Fab heavy chain, Fab light chain, Trem-like transcript 1 protein
著者Johansson, E, Schluckebier, G.
登録日2023-02-07
公開日2023-12-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders.
Nat Cardiovasc Res, 3, 2024
6A0Q
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BU of 6a0q by Molmil
The crystal structure of Lpg2622_E64 complex
分子名称: Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Gong, X, Ge, H.
登録日2018-06-06
公開日2018-09-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
6GZM
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BU of 6gzm by Molmil
Crystal Structure of Human CKIdelta with A86
分子名称: CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ...
著者Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J.
登録日2018-07-04
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
6YEG
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BU of 6yeg by Molmil
Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - Final EM Refinement
分子名称: Tail tube protein gp17.1*
著者Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR
主引用文献Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
7M0D
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BU of 7m0d by Molmil
Pre-catalytic quaternary complex of DNA Polymerase Lambda with bound complementary DSB substrate and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022
3IKW
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BU of 3ikw by Molmil
Structure of Heparinase I from Bacteroides thetaiotaomicron
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Heparin lyase I
著者Garron, M.L, Cygler, M, Shaya, D.
登録日2009-08-06
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
3ZRJ
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BU of 3zrj by Molmil
Complex of ClpV N-domain with VipB peptide
分子名称: 1,2-ETHANEDIOL, CLPB PROTEIN, VIPB
著者Lenherr, E.D, Kopp, J, Sinning, I.
登録日2011-06-16
公開日2011-07-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular Basis for the Unique Role of the Aaa+ Chaperone Clpv in Type Vi Protein Secretion.
J.Biol.Chem., 286, 2011
5FSN
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BU of 5fsn by Molmil
MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol.
分子名称: 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
3EJR
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BU of 3ejr by Molmil
Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Shea, K, Rose, D.R.
登録日2008-09-18
公開日2009-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cottrell, C.A, Ward, A.B.
登録日2020-01-21
公開日2020-08-12
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
3EL8
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BU of 3el8 by Molmil
Crystal structure of c-Src in complex with pyrazolopyrimidine 5
分子名称: 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
著者Dar, A.C, Lopez, M.S, Shokat, K.M.
登録日2008-09-20
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small molecule recognition of c-Src via the Imatinib-binding conformation.
Chem.Biol., 15, 2008
6YT1
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BU of 6yt1 by Molmil
Mtb TMK crystal structure in complex with compound 26
分子名称: 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase
著者Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N.
登録日2020-04-23
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Eur.J.Med.Chem., 206, 2020
4PZN
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BU of 4pzn by Molmil
Crystal structure of PHC3 SAM L971E
分子名称: 1,2-ETHANEDIOL, Polyhomeotic-like protein 3
著者Nanyes, D.R, Junco, S.E, Taylor, A.B, Robinson, A.K, Patterson, N.L, Shivarajpur, A, Halloran, J, Hale, S.M, Kaur, Y, Hart, P.J, Kim, C.A.
登録日2014-03-31
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple polymer architectures of human polyhomeotic homolog 3 sterile alpha motif.
Proteins, 82, 2014
3TLA
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BU of 3tla by Molmil
Microcin C7 self immunity protein MccF in the wild type APO state
分子名称: 1,2-ETHANEDIOL, MccF
著者Agarwal, V, Nair, S.K.
登録日2011-08-29
公開日2012-02-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
分子名称: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
著者Kulathila, R, Monovich, L, Koehn, J.
登録日2008-09-22
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
2WLG
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BU of 2wlg by Molmil
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
分子名称: 1,2-ETHANEDIOL, ACETATE ION, POLYSIALIC ACID O-ACETYLTRANSFERASE, ...
著者Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2009-06-23
公開日2009-06-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
4Q0J
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BU of 4q0j by Molmil
Deinococcus radiodurans BphP photosensory module
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
8C11
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BRD4 in complex with 2-(2-(4-(3,5-dimethylisoxazol-4-yl)-1H-pyrazol-1-yl)acetamido)-N-ethylpropanamide
分子名称: (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide, Bromodomain-containing protein 4
著者Martin, M.P, Noble, M.E.N.
登録日2022-12-19
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BRD4 complex with compound 22
To Be Published

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件を2025-12-03に公開中

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