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8DOV
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Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin
分子名称: GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ...
著者Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T.
登録日2022-07-14
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NOU
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BU of 6nou by Molmil
An scFv derived from ixekizumab
分子名称: GLYCEROL, scFv derived from ixekizumab
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6VSU
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Arginase from Arabidopsis thaliana in Complex with Ornithine
分子名称: Arginase 1, mitochondrial, DI(HYDROXYETHYL)ETHER, ...
著者Sekula, B.
登録日2020-02-11
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
13PK
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BU of 13pk by Molmil
TERNARY COMPLEX OF PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI
分子名称: 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Bernstein, B.E, Michels, P.A.M, Hol, W.G.J.
登録日1996-11-23
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synergistic effects of substrate-induced conformational changes in phosphoglycerate kinase activation.
Nature, 385, 1997
6FVL
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BU of 6fvl by Molmil
DNA polymerase sliding clamp from Escherichia coli with bound P7 peptide
分子名称: Beta sliding clamp, GLYCEROL, P7 peptide, ...
著者Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D.
登録日2018-03-04
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
7TGP
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BU of 7tgp by Molmil
E176T/Y188G variant of the internal UBA Domain of HHR23A
分子名称: UV excision repair protein RAD23 homolog A
著者Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R.
登録日2022-01-08
公開日2023-04-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
8EB0
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BU of 8eb0 by Molmil
RNF216/E2-Ub/Ub transthiolation complex
分子名称: E3 ubiquitin-protein ligase RNF216, SULFATE ION, Ubiquitin, ...
著者Cotton, T.R, Wang, X.S, Lechtenberg, B.C.
登録日2022-08-30
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family.
Nat Commun, 14, 2023
8QWS
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BU of 8qws by Molmil
Crystal structure of CotB2 variant V80L in complex with alendronate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B.
登録日2023-10-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CotB2 variant V80L in complex with alendronate
To Be Published
6FS8
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BU of 6fs8 by Molmil
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Cusack, S, Speranzini, V.
登録日2018-02-19
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
7OM5
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BU of 7om5 by Molmil
Anti-EGFR nanobody EgB4
分子名称: GLYCEROL, Nanobody EgB4, ZINC ION
著者Zeronian, M.R, Janssen, B.J.C.
登録日2021-05-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody.
Bmc Mol Cell Biol, 23, 2022
6QB8
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BU of 6qb8 by Molmil
Human CCT:mLST8 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
著者Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M.
登録日2018-12-20
公開日2019-07-03
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly.
Nat Commun, 10, 2019
7A94
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BU of 7a94 by Molmil
SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2020-09-01
公開日2020-09-16
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
6ZNP
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BU of 6znp by Molmil
Crystal Structure of DUF1998 helicase MrfA bound to DNA
分子名称: CITRIC ACID, Uncharacterized ATP-dependent helicase YprA, ZINC ION, ...
著者Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C.
登録日2020-07-06
公開日2020-11-25
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
6NLA
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BU of 6nla by Molmil
Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin G-binding protein G, ...
著者Maniaci, B, Stec, B, Huxford, T.
登録日2019-01-08
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
8QWR
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BU of 8qwr by Molmil
Crystal structure of CotB2 variant V80L
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclooctat-9-en-7-ol synthase, ...
著者Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B.
登録日2023-10-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of CotB2 variant V80L
To Be Published
6DY3
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BU of 6dy3 by Molmil
Caenorhabditis elegans N-acylethanolamine-hydrolyzing acid amidase (NAAA) ortholog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, N-acylethanolamine-hydrolyzing acid amidase alpha-subunit, N-acylethanolamine-hydrolyzing acid amidase beta-subunit
著者Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
登録日2018-07-01
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DJX
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BU of 5djx by Molmil
Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DRW
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BU of 5drw by Molmil
Crystal structure of the BCR Fab fragment from subset #4 case CLL183
分子名称: CLL183 BCR antibody heavy chain, CLL183 BCR antibody light chain
著者Minici, C, Degano, M.
登録日2015-09-16
公開日2016-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
5LQF
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BU of 5lqf by Molmil
CDK1/CyclinB1/CKS2 in complex with NU6102
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
登録日2016-08-17
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
6MO8
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BU of 6mo8 by Molmil
N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor
分子名称: 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MVA
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BU of 6mva by Molmil
LDHA structure in complex with inhibitor 14
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C.E, Ultsch, M, Wei, B.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
分子名称: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
6MWH
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BU of 6mwh by Molmil
LasR LBD:BB0020 complex
分子名称: 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide, Transcriptional regulator LasR
著者Bassler, B.L, Paczkowski, J.E.
登録日2018-10-29
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
8QLP
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BU of 8qlp by Molmil
CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex
分子名称: DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ...
著者Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D.
登録日2023-09-20
公開日2024-01-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA.
Nucleic Acids Res., 52, 2024
7OGL
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BU of 7ogl by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. apo-PNPase
分子名称: Polyribonucleotide nucleotidyltransferase
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021

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