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8F0L
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BU of 8f0l by Molmil
Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB
分子名称: ADI-26906 Fab Heavy Chain, ADI-26906 Fab Light Chain, GLYCEROL, ...
著者Battles, M.B, Welin, M.
登録日2022-11-03
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity.
Mabs, 15, 2023
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
著者Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
6S21
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BU of 6s21 by Molmil
Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33494S-sulf)
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Endo-4-O-sulfatase
著者Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A.
登録日2019-06-19
公開日2020-02-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Nat Commun, 11, 2020
8CLM
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BU of 8clm by Molmil
1.80 A crystal structure of RNA/2'-O-methyl-RNA heteroduplex
分子名称: POTASSIUM ION, RNA (5'-R(*(UZL)*(OMU)P*(A2M)P*(OMG)P*(OMG)P*(A2M)P*(OMG)P*(A2M)P*(OMC)P*)-3'), RNA (5'-R(*G*UP*CP*UP*CP*CP*UP*AP*GP*)-3'), ...
著者Dolot, R.M, Maciaszek, A, Nawrot, B.C.
登録日2023-02-16
公開日2023-03-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of RNA/2'-O-methyl-RNA heteroduplex
To Be Published
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
分子名称: dTor_9x57R
著者Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
登録日2020-07-10
公開日2021-07-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
1ADF
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BU of 1adf by Molmil
CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN
分子名称: ALCOHOL DEHYDROGENASE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION
著者Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M.
登録日1993-10-18
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
1ANK
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BU of 1ank by Molmil
THE CLOSED CONFORMATION OF A HIGHLY FLEXIBLE PROTEIN: THE STRUCTURE OF E. COLI ADENYLATE KINASE WITH BOUND AMP AND AMPPNP
分子名称: ADENOSINE MONOPHOSPHATE, ADENYLATE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Berry, M.B, Meador, B, Bilderback, T, Liang, P, Glaser, M, Phillips Jr, G.N.
登録日1994-02-28
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The closed conformation of a highly flexible protein: the structure of E. coli adenylate kinase with bound AMP and AMPPNP.
Proteins, 19, 1994
7S1B
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BU of 7s1b by Molmil
Crystal structure of Epstein-Barr virus glycoproteins gH/gL/gp42-peptide in complex with human neutralizing antibodies 769C2 and 770F7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 Fab heavy chain, 769C2 Fab light chain, ...
著者Chen, W.-H, Cohen, J.I, Kanekiyo, M, Joyce, M.G.
登録日2021-09-02
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-03-28
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6AH0
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BU of 6ah0 by Molmil
The Cryo-EM Structure of the Precusor of Human Pre-catalytic Spliceosome (pre-B complex)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
著者Zhan, X, Yan, C, Zhang, X, Shi, Y.
登録日2018-08-15
公開日2018-11-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structures of the human pre-catalytic spliceosome and its precursor spliceosome.
Cell Res., 28, 2018
6U0N
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BU of 6u0n by Molmil
Asymmetrically open conformational state (Class II) of HIV-1 Env trimer BG505 SOSIP.664 in complex with sCD4 and E51 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, E51 Fab heavy chain, ...
著者Yang, Z, Bjorkman, P.J.
登録日2019-08-14
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Asymmetric opening of HIV-1 Env bound to CD4 and a coreceptor-mimicking antibody.
Nat.Struct.Mol.Biol., 26, 2019
4WIF
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BU of 4wif by Molmil
Crystal structure of E47Q mutant cytidine deaminase from Mycobacterium tuberculosis (MtCDA E47Q)
分子名称: Cytidine deaminase, ZINC ION
著者Trivella, D.B, Sanchez-Quitian, A.Z, Basso, L.A, Santos, D.S.
登録日2014-09-25
公開日2015-09-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of E47Q mutant cytidine deaminase from Mycobacterium tuberculosis (MtCDA E47Q)
Rsc Adv, 2015
6U6X
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BU of 6u6x by Molmil
Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide
分子名称: DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
著者Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
登録日2019-08-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6OI8
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BU of 6oi8 by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-09
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
6RJ2
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BU of 6rj2 by Molmil
Crystal structure of PHGDH in complex with compound 40
分子名称: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
4X4X
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BU of 4x4x by Molmil
Retrofitting antibodies with stabilizing mutations. Herceptin scFv mutant.
分子名称: Human Variable Heavy Chain of Herceptin, Human Variable Light Chain of Herceptin
著者Langley, D.B, Roome, B, Christ, D.
登録日2014-12-04
公開日2015-12-23
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Retrofitting antibodies with stabilizing mutations
To Be Published
7S1C
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BU of 7s1c by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1)
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine
著者Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P.
登録日2021-09-02
公開日2023-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
103D
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BU of 103d by Molmil
THE UNUSUAL STRUCTURE OF THE HUMAN CENTROMERE (GGA)2 MOTIF: UNPAIRED GUANOSINE RESIDUES STACKED BETWEEN SHEARED G(DOT)A PAIRS
分子名称: DNA (5'-D(*GP*TP*GP*GP*AP*AP*TP*GP*GP*AP*AP*C)-3')
著者Chou, S.-H, Zhu, L, Reid, B.R.
登録日1994-12-16
公開日1995-03-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The unusual structure of the human centromere (GGA)2 motif. Unpaired guanosine residues stacked between sheared G.A pairs.
J.Mol.Biol., 244, 1994
8OO1
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BU of 8oo1 by Molmil
Wide inward-open liganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, Sy45, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-04-04
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
6OJH
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BU of 6ojh by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ...
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-11
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
To Be Published
4WLV
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BU of 4wlv by Molmil
Crystal structure of NAD bound MDH2
分子名称: Malate dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Eo, Y.M, Han, B.G, Ahn, H.C.
登録日2014-10-08
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of NAD bound MDH2
To Be Published
7SR2
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BU of 7sr2 by Molmil
Crystal structure of the human SNX25 regulator of G-protein signalling (RGS) domain
分子名称: ACETATE ION, LEUCINE, Sorting nexin-25, ...
著者Collins, B.M, Paul, B, Weeratunga, S.
登録日2021-11-07
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Predictions of the SNX-RGS Proteins Suggest They Belong to a New Class of Lipid Transfer Proteins.
Front Cell Dev Biol, 10, 2022
1BC7
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BU of 1bc7 by Molmil
SERUM RESPONSE FACTOR ACCESSORY PROTEIN 1A (SAP-1)/DNA COMPLEX
分子名称: DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*AP*GP*GP*AP*TP*GP*TP*G)-3'), PROTEIN (ETS-DOMAIN PROTEIN)
著者Mo, Y, Vaessen, B, Johnston, K, Marmorstein, R.
登録日1998-05-05
公開日1999-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structures of SAP-1 bound to DNA targets from the E74 and c-fos promoters: insights into DNA sequence discrimination by Ets proteins.
Mol.Cell, 2, 1998
7SR1
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Crystal structure of the human SNX25 regulator of G-protein signalling (RGS) domain
分子名称: Sorting nexin-25
著者Collins, B.M, Paul, B, Weeratunga, S.
登録日2021-11-07
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Predictions of the SNX-RGS Proteins Suggest They Belong to a New Class of Lipid Transfer Proteins.
Front Cell Dev Biol, 10, 2022
6OI1
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Crystal structure of human WDR5 in complex with monomethyl L-arginine
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020

224004

件を2024-08-21に公開中

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