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4WF6
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Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2014-09-12
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6521 Å)
主引用文献Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
8F16
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BU of 8f16 by Molmil
Structure of the STUB1 TPR domain in complex with H203, an all-D Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
6DZL
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Ebola virus Makona variant GP (mucin-deleted) in complex with pan-ebolavirus human antibody ADI-15878 Fab
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, Ebola virus Makona GP1, ...
著者Murin, C.D, Ward, A.B.
登録日2018-07-05
公開日2018-09-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Structural Basis of Pan-Ebolavirus Neutralization by an Antibody Targeting the Glycoprotein Fusion Loop.
Cell Rep, 24, 2018
6A4U
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BU of 6a4u by Molmil
The first crystal structure of crustacean ferritin that is a hybrid type of H and L ferritin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ferritin, ...
著者Masuda, T, Mikami, B, Zang, J, Zhao, G.
登録日2018-06-21
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The first crystal structure of crustacean ferritin that is a hybrid type of H and L ferritin
Protein Sci., 27, 2018
8H5C
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BU of 8h5c by Molmil
Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2
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Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F.
登録日2022-10-12
公開日2023-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8STX
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BU of 8stx by Molmil
Crystal structure of the F337A mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
分子名称: Glucokinase
著者Abiskaroon, B, Carey, S.M, D'Antonio, E.L, Chruszcz, M.
登録日2023-05-11
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献At the outer part of the active site in Trypanosoma cruzi glucokinase: The role of phenylalanine 337.
Biochimie, 218, 2023
6TVU
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BU of 6tvu by Molmil
Structure of native gp41 derived peptide fusion inhibitor
分子名称: Env polyprotein (Fragment), Transmembrane protein gp41
著者Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
登録日2020-01-10
公開日2021-01-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6TVW
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Structure of native gp41 derived peptide fusion inhibitor
分子名称: Envelope glycoprotein, Transmembrane protein gp41,Envelope glycoprotein gp160
著者Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
登録日2020-01-10
公開日2021-01-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6S2E
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BU of 6s2e by Molmil
Cryo-EM structure of Ctf18-1-8 in complex with the catalytic domain of DNA polymerase epsilon
分子名称: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ...
著者Grabarczyk, D.B, Song, B.
登録日2019-06-20
公開日2020-07-08
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Ctf18-RFC and DNA Pol ε form a stable leading strand polymerase/clamp loader complex required for normal and perturbed DNA replication.
Nucleic Acids Res., 48, 2020
6DZM
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BU of 6dzm by Molmil
Bundibugyo virus GP (mucin-deleted) in complex with pan-ebolavirus human antibody ADI-15878 Fab
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, Antibody ADI-15878 Fab, ...
著者Murin, C.D, Ward, A.B.
登録日2018-07-05
公開日2018-09-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.29 Å)
主引用文献Structural Basis of Pan-Ebolavirus Neutralization by an Antibody Targeting the Glycoprotein Fusion Loop.
Cell Rep, 24, 2018
4WML
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BU of 4wml by Molmil
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P
分子名称: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1
著者Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P.
登録日2014-10-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
8H1I
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BU of 8h1i by Molmil
Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cold shock-like protein CspC, ...
著者Padmanabhan, B, Gopinatha, K, Mandal, M, Saranya, G, Sudhagar, B.
登録日2022-10-03
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C
To Be Published
8EPX
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BU of 8epx by Molmil
Type IIS Restriction Endonuclease PaqCI, DNA bound
分子名称: CALCIUM ION, DNA 1a, DNA 1b, ...
著者Kennedy, M.A, Stoddard, B.L.
登録日2022-10-06
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
6DZ2
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BU of 6dz2 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2018-07-02
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6E0O
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BU of 6e0o by Molmil
Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA
分子名称: MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-07-06
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
8EIM
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BU of 8eim by Molmil
Structure of ALAS with C-terminal truncation from S. cerevisiae
分子名称: 5-aminolevulinate synthase, mitochondrial, ACETATE ION, ...
著者Tran, J.U, Brown, B.L.
登録日2022-09-15
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The yeast ALA synthase C-terminus positively controls enzyme structure and function.
Protein Sci., 32, 2023
7SHJ
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BU of 7shj by Molmil
Crystal structure of Acinetobacter baumannii ZnuA in the metal-free state
分子名称: SODIUM ION, Zinc ABC transporter solute-binding protein
著者Luo, Z, McDevitt, C.A, Kobe, B.
登録日2021-10-09
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural and biochemical characterization of Acinetobacter baumannii ZnuA.
J.Inorg.Biochem., 231, 2022
4WLJ
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BU of 4wlj by Molmil
High resolution crystal structure of human kynurenine aminotransferase-I in complex with aminooxyacetate
分子名称: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Kynurenine--oxoglutarate transaminase 1
著者Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B.
登録日2014-10-07
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献High resolution crystal structures of human kynurenine aminotransferase-I bound to PLP cofactor, and in complex with aminooxyacetate.
Protein Sci., 26, 2017
1ACA
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BU of 1aca by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A
分子名称: ACYL-COENZYME A BINDING PROTEIN, COENZYME A, PALMITIC ACID
著者Kragelund, B.B, Andersen, K.V, Madsen, J.C, Knudsen, J, Poulsen, F.M.
登録日1992-11-17
公開日1994-01-31
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A.
J.Mol.Biol., 230, 1993
1AFC
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BU of 1afc by Molmil
STRUCTURAL STUDIES OF THE BINDING OF THE ANTI-ULCER DRUG SUCROSE OCTASULFATE TO ACIDIC FIBROBLAST GROWTH FACTOR
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
著者Zhu, X, Hsu, B.T, Rees, D.C.
登録日1993-07-13
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of the binding of the anti-ulcer drug sucrose octasulfate to acidic fibroblast growth factor.
Structure, 1, 1993
1AFT
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BU of 1aft by Molmil
SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES
分子名称: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE
著者Laub, P.B, Fisher, A.L, Furst, G.T, Barwis, B.A, Hamann, C.S, Cooperman, B.S.
登録日1997-03-13
公開日1997-05-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献NMR structure of an inhibitory R2 C-terminal peptide bound to mouse ribonucleotide reductase R1 subunit.
Nat.Struct.Biol., 2, 1995
6TZI
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BU of 6tzi by Molmil
ADC-7 in complex with boronic acid transition state inhibitor PFC_001
分子名称: Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]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 (1.744 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
189L
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BU of 189l by Molmil
ENHANCEMENT OF PROTEIN STABILITY BY THE COMBINATION OF POINT MUTATIONS IN T4 LYSOZYME IS ADDITIVE
分子名称: T4 LYSOZYME
著者Zhang, X.-J, Matthews, B.W.
登録日1995-05-09
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enhancement of protein stability by the combination of point mutations in T4 lysozyme is additive.
Protein Eng., 8, 1995
4WEQ
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BU of 4weq by Molmil
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-10
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
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 (3.12 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

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