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7YRB
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BU of 7yrb by Molmil
UBR box of human UBR6
分子名称: F-box protein 11, isoform CRA_f, SULFATE ION, ...
著者Kim, B, Song, H.K.
登録日2022-08-09
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of UBR box from human UBR6
To Be Published
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
5KQQ
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BU of 5kqq by Molmil
Crystal structure of the W153F variant of catalase-peroxidase from B. pseudomallei treated
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ...
著者Loewen, P.C.
登録日2016-07-06
公開日2017-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of the W153F variant of catalase-peroxidase of B. pseudomallei at 1.87 Angstroms.
To be published
1B2W
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BU of 1b2w by Molmil
COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY
分子名称: PROTEIN (ANTIBODY (HEAVY CHAIN)), PROTEIN (ANTIBODY (LIGHT CHAIN))
著者Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasquez, M, Queen, C, Ramsland, P.A, Edmundson, A.B.
登録日1998-12-01
公開日1999-05-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody.
J.Mol.Recog., 12, 1999
7KE5
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BU of 7ke5 by Molmil
Heavy chain ferritin with N-terminal EBNA1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Epstein-Barr nuclear antigen 1,Ferritin heavy chain, FE (III) ION
著者Pederick, J.P, Bruning, J.B.
登録日2020-10-10
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
7KE3
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BU of 7ke3 by Molmil
Heavy chain ferritin with C-terminal EBNA1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1
著者Pederick, J.L, Bruning, J.B.
登録日2020-10-10
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
1B4J
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BU of 1b4j by Molmil
COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY
分子名称: ANTIBODY
著者Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasques, M, Queen, C, Ramsland, P.A, Edmundson, A.B.
登録日1998-12-22
公開日1999-06-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody.
J.Mol.Recog., 12, 1999
5DZB
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BU of 5dzb by Molmil
6beta1
分子名称: 6beta1
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-25
公開日2016-08-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
6TZG
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BU of 6tzg by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S17083
分子名称: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
著者Fish, E.R, Powers, R.A, Wallar, B.J.
登録日2019-08-12
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6LPY
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BU of 6lpy by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C4CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8A0K
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BU of 8a0k by Molmil
crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain
分子名称: DI(HYDROXYETHYL)ETHER, Protein kinase, putative
著者Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B.
登録日2022-05-27
公開日2022-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
5A7S
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BU of 5a7s by Molmil
Crystal structure of human JMJD2A in complex with compound 44
分子名称: 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
登録日2015-07-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
4PH6
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BU of 4ph6 by Molmil
Structure of 3-Dehydroquinate Dehydratase from Enterococcus faecalis
分子名称: 3-dehydroquinate dehydratase
著者Xue, B, Cheung, V.W, Yew, W.S, Robinson, R.C.
登録日2014-05-05
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of Polyketide Inhibitors Targeting 3-Dehydroquinate Dehydratase in the Shikimate Pathway of Enterococcus faecalis
Plos One, 9, 2014
6EGZ
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BU of 6egz by Molmil
Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene
分子名称: Cytochrome c iso-1, HEME C, SODIUM ION, ...
著者Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
8F1A
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BU of 8f1a by Molmil
Apo KIF20A[1-565] class-1 in complex with a microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
著者Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H.
登録日2022-11-04
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
4PL8
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BU of 4pl8 by Molmil
Structure of rabbit skeletal muscle actin in complex with a hybrid peptide comprising thymosin beta4 and the lysine-rich region of Cordon-Bleu
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Xue, B, Robinson, R.C.
登録日2014-05-16
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of thymosin-beta 4/profilin exchange leading to actin filament polymerization.
Proc.Natl.Acad.Sci.USA, 111, 2014
8SQG
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BU of 8sqg by Molmil
OXA-48 bound to inhibitor CDD-2801
分子名称: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8F18
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BU of 8f18 by Molmil
Apo KIF20A[1-565] class-2 in complex with a microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
著者Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H.
登録日2022-11-04
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
8F5Q
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BU of 8f5q by Molmil
Crystal structure of human PCNA in complex with the PIP box of FBH1
分子名称: F-box DNA helicase 1, Proliferating cell nuclear antigen
著者Liu, J, Chaves-Arquero, B, Wei, P, Tencer, H, Zhang, G, Blanco, F, Kutateladze, T.
登録日2022-11-15
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular insight into the PCNA-binding mode of FBH1.
Structure, 31, 2023
6J1Q
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BU of 6j1q by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - RS
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
6RPA
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BU of 6rpa by Molmil
Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
8EM5
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BU of 8em5 by Molmil
Mycobacterium thermoresistible MmpS5
分子名称: DODECAETHYLENE GLYCOL, GLYCEROL, IODIDE ION, ...
著者Cuthbert, B.J, Goulding, C.W.
登録日2022-09-26
公開日2023-09-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria.
Metallomics, 16, 2024
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
分子名称: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.60000241 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
1B09
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BU of 1b09 by Molmil
HUMAN C-REACTIVE PROTEIN COMPLEXED WITH PHOSPHOCHOLINE
分子名称: CALCIUM ION, PHOSPHOCHOLINE, PROTEIN (C-REACTIVE PROTEIN)
著者Thompson, D, Pepys, M.B, Wood, S.P.
登録日1998-11-18
公開日1999-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The physiological structure of human C-reactive protein and its complex with phosphocholine.
Structure Fold.Des., 7, 1999
5DXU
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BU of 5dxu by Molmil
p110delta/p85alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016

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