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5LDE
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BU of 5lde by Molmil
Crystal structure of a vFLIP-IKKgamma stapled peptide dimer
分子名称: Immunoglobulin G-binding protein G,Viral FLICE protein, Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, ...
著者Barrett, T.
登録日2016-06-24
公開日2017-10-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献IKK gamma-Mimetic Peptides Block the Resistance to Apoptosis Associated with Kaposi's Sarcoma-Associated Herpesvirus Infection.
J. Virol., 91, 2017
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
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, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
8QYA
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J22.9-FNY, fully humanized, CDR optimized Fab Fragment based on chimeric J22.9-xi IgG against BCMA; with VH CDR2 glycosylation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Chains: A, ...
著者Marino, S.F, Daumke, O.
登録日2023-10-25
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structure-based humanization of a therapeutic antibody for Multiple Myeloma
To Be Published
8QY9
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BU of 8qy9 by Molmil
J22.9-H, fully humanized Fab Fragment based on chimeric J22.9-xi IgG against BCMA
分子名称: COPPER (II) ION, Chains: A, Chains: H, ...
著者Marino, S.F, Daumke, O.
登録日2023-10-25
公開日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-based humanization of a therapeutic antibody for Multiple Myeloma
To Be Published
8QYB
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BU of 8qyb by Molmil
J22.9-ISY, fully humanized and CDR optimized Fab Fragment based on chimeric J22.9-xi IgG against BCMA
分子名称: COPPER (II) ION, Chains: A, Chains: H, ...
著者Marino, S.F, Daumke, O.
登録日2023-10-25
公開日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-based humanization of a therapeutic antibody for Multiple Myeloma
To Be Published
6PVX
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BU of 6pvx by Molmil
RNase A in complex with p5U
分子名称: 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
5UR6
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BU of 5ur6 by Molmil
PYR1 bound to the rationally designed agonist cyanabactin
分子名称: Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION
著者Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
登録日2017-02-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.
ACS Chem. Biol., 12, 2017
6PVV
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BU of 6pvv by Molmil
RNase A in complex with p5A
分子名称: ADENOSINE-5'-PENTAPHOSPHATE, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
5N88
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BU of 5n88 by Molmil
Crystal structure of antibody bound to viral protein
分子名称: PC4 and SFRS1-interacting protein, VH59 antibody
著者Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-02-23
公開日2017-12-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein.
Sci Rep, 7, 2017
8SV9
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BU of 8sv9 by Molmil
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
分子名称: (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Schonbrunn, E, Sun, L.
登録日2023-05-15
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
分子名称: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
著者Fellner, M.
登録日2023-06-22
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
5NAU
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BU of 5nau by Molmil
Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20
分子名称: (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caliandro, R, Pesaresi, A, Lamba, D.
登録日2017-02-28
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
5LOH
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BU of 5loh by Molmil
Kinase domain of human Greatwall
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ...
著者Rajasekaran, M.B, Pearl, L.H, Oliver, A.W.
登録日2016-08-09
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct.
Oncotarget, 7, 2016
6QFG
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BU of 6qfg by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5TAQ
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BU of 5taq by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 3&4)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
8QWK
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BU of 8qwk by Molmil
Structure of p53 cancer mutant Y126C
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
著者Markl, A.M, Balourdas, D.I, Kraemer, A, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-10-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
6Q47
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BU of 6q47 by Molmil
Crystal structure of partially oxidized thioredoxin h1 from Chlamydomonas reinhardtii
分子名称: Thioredoxin H-type
著者Fermani, S, Zaffagnini, M, Lemaire, S.D.
登録日2018-12-05
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural and Biochemical Insights into the Reactivity of Thioredoxin h1 fromChlamydomonas reinhardtii.
Antioxidants (Basel), 8, 2019
8QWO
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BU of 8qwo by Molmil
Structure of p53 cancer mutant Y234C
分子名称: Cellular tumor antigen p53, GLYCEROL, ZINC ION
著者Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-10-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
6QEI
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BU of 6qei by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide
分子名称: 1,2-ETHANEDIOL, 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, DIMETHYL SULFOXIDE, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
8QWP
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BU of 8qwp by Molmil
Structure of p53 cancer mutant Y236C
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ...
著者Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-10-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
6Q6T
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BU of 6q6t by Molmil
Crystal structure (orthorombic form) of C36S mutant of thioredoxin h1 from Chlamydomonas reinhardtii
分子名称: DI(HYDROXYETHYL)ETHER, Thioredoxin H-type
著者Fermani, S, Zaffagnini, M, Lemaire, S.D.
登録日2018-12-11
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Structural and Biochemical Insights into the Reactivity of Thioredoxin h1 fromChlamydomonas reinhardtii.
Antioxidants (Basel), 8, 2019
5U25
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BU of 5u25 by Molmil
Crystal structure of a dihydrolipoyl dehydrogenase from Neisseria gonorrhoeae bound to FAD
分子名称: 1,2-ETHANEDIOL, Dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-11-29
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a dihydrolipoyl dehydrogenase from Neisseria gonorrhoeae bound to FAD
To Be Published
6QEH
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BU of 6qeh by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5-Chloro-quinolin-8-ol
分子名称: 5-chloranylquinolin-8-ol, GLYCEROL, MANGANESE (II) ION, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
5TRZ
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BU of 5trz by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Jiang, J, Natarajan, K, Margulies, D.
登録日2016-10-27
公開日2018-05-09
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019

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件を2024-07-17に公開中

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