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1DZT
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BU of 1dzt by Molmil
RMLC FROM SALMONELLA TYPHIMURIUM
分子名称: 3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER), 3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, ...
著者Naismith, J.H, Giraud, M.F.
登録日2000-03-07
公開日2000-04-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rmlc, the Third Enzyme of Dtdp-L-Rhamnose Pathway, is a New Class of Epimerase.
Nat.Struct.Biol., 7, 2000
1DYZ
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BU of 1dyz by Molmil
OXIDISED AZURIN II FROM ALCALIGENES XYLOSOXIDANS
分子名称: AZURIN II, COPPER (II) ION
著者Dodd, F.E, Abraham, Z.H.L, Eady, R.R, Hasnain, S.S.
登録日2000-02-11
公開日2000-07-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of Oxidised and Reduced Azurin II from Alcaligenes Xylosoxidans at 1.75 Angstoms Resolution
Acta Crystallogr.,Sect.D, 56, 2000
6Q0O
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BU of 6q0o by Molmil
human antibody H2227 lineage 652 in complex with influenza hemagglutinin head domain of A/Solomon Islands/3/2006(H1N1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-02
公開日2019-12-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
8VQR
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BU of 8vqr by Molmil
Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hsueh, F.-C, Shi, K, Aihara, H, Li, F.
登録日2024-01-19
公開日2024-05-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.565 Å)
主引用文献Structural basis for raccoon dog receptor recognition by SARS-CoV-2.
Plos Pathog., 20, 2024
1RKW
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BU of 1rkw by Molmil
CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, SULFATE ION, Transcriptional regulator qacR
著者Murray, D.S, Schumacher, M.A, Brennan, R.G.
登録日2003-11-23
公開日2004-06-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.
J.Biol.Chem., 279, 2004
7LRT
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BU of 7lrt by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
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, SARS-CoV-2 spike glycoprotein, ...
著者Zhou, T, Tsybovsky, T.
登録日2021-02-17
公開日2021-07-14
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
5EUD
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BU of 5eud by Molmil
S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide
分子名称: PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
著者Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M.
登録日2015-11-18
公開日2016-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
登録日2018-01-11
公開日2018-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
3UJE
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BU of 3uje by Molmil
Asymmetric complex of human neuron specific enolase-3-PGA/PEP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
著者Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
登録日2011-11-07
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
9EF6
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BU of 9ef6 by Molmil
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20045
分子名称: (2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide, CHLORIDE ION, Glycylpeptide N-tetradecanoyltransferase, ...
著者Fenwick, M.K, Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-11-19
公開日2025-11-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20045
To Be Published
9EF7
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BU of 9ef7 by Molmil
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20057
分子名称: (2M)-2-[5-chloro-2-(piperazin-1-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,3-benzimidazole-4-carboxamide, CHLORIDE ION, Glycylpeptide N-tetradecanoyltransferase, ...
著者Fenwick, M.K, Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-11-19
公開日2025-11-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20057
To Be Published
5T6Z
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BU of 5t6z by Molmil
KIR3DL1 in complex with HLA-B*57:01-TW10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Decapeptide: THR-SER-THR-LEU-GLN-GLU-GLN-ILE-GLY-TRP, ...
著者Pymm, P, Rossjohn, J, Vivian, J.P.
登録日2016-09-02
公開日2017-03-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
2WXO
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BU of 2wxo by Molmil
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS5.
分子名称: N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L.
登録日2009-11-09
公開日2010-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
9DMX
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BU of 9dmx by Molmil
Crystal structure of shark UrIg2 V-C1-C2-C3 domains
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2024-09-16
公開日2025-07-23
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Origin of immunoglobulins and T cell receptors: A candidate gene for invasion by the RAG transposon.
Sci Adv, 11, 2025
3RW0
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BU of 3rw0 by Molmil
Crystal structure of the NavAb voltage-gated sodium channel (Met221Cys, 2.95 A)
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein
著者Payandeh, J, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2011-05-06
公開日2011-07-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The crystal structure of a voltage-gated sodium channel.
Nature, 475, 2011
7LRS
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BU of 7lrs by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
分子名称: Spike glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, antibody A23-58.1 heavy chain, ...
著者Zhou, T, Tsybovsky, Y.
登録日2021-02-17
公開日2021-07-14
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
2WST
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BU of 2wst by Molmil
Head domain of porcine adenovirus type 4 NADC-1 isolate fibre
分子名称: PUTATIVE FIBER PROTEIN
著者Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J.
登録日2009-09-09
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains.
J. Virol., 84, 2010
3FK0
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BU of 3fk0 by Molmil
E. coli EPSP synthase (TIPS mutation) liganded with S3P
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
著者Schonbrunn, E.
登録日2008-12-15
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
3US4
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BU of 3us4 by Molmil
Crystal structure of a SH2 domain of a megakaryocyte-associated tyrosine kinase (MATK) from Homo sapiens at 1.50 A resolution
分子名称: Megakaryocyte-associated tyrosine-protein kinase, SULFATE ION
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-11-22
公開日2011-12-28
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a SH2 domain of a megakaryocyte-associated tyrosine kinase (MATK) from Homo sapiens at 1.50 A resolution
To be published
7UH8
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BU of 7uh8 by Molmil
Integrin alpha IIB beta3 complex with roxifiban (Mn/Ca)
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-25
公開日2022-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.750024 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UBR
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BU of 7ubr by Molmil
Integrin alpha IIB beta3 complex with GR144053
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-15
公開日2022-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.04992747 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
5VBQ
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BU of 5vbq by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain testis-specific protein, ...
著者EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-30
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
3RY9
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BU of 3ry9 by Molmil
Crystal Structure of the Resurrected Ancestral Glucocorticoid Receptor 1 in complex with DOC
分子名称: Ancestral Glucocorticoid Receptor 1, DESOXYCORTICOSTERONE, GLYCEROL, ...
著者Ortlund, E.A.
登録日2011-05-11
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanisms for the evolution of a derived function in the ancestral glucocorticoid receptor.
PLoS Genet, 7, 2011
7UCG
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BU of 7ucg by Molmil
Structure of the DU422 SOSIP.664 trimer in complex with neutralizing antibody Fab fragments 10-1074 and BG24
分子名称: 10-1074 Fab heavy chain, 10-1074 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2022-03-16
公開日2022-08-17
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A naturally arising broad and potent CD4-binding site antibody with low somatic mutation.
Sci Adv, 8, 2022
6FMK
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BU of 6fmk by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4)
分子名称: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018

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