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PDB: 89346 件

7YY3
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BU of 7yy3 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 7
分子名称: 5-fluoroindole-2-carboxylic acid, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.535 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7K45
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SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), S2E12 neutralizing antibody Fab fragment (light chain), ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-10-07
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
6F1T
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Cryo-EM structure of two dynein tail domains bound to dynactin and BICDR1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
著者Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P.
登録日2017-11-23
公開日2018-01-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Nature, 554, 2018
8S1R
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BU of 8s1r by Molmil
Crystal structure of SHANK1 PDZ in complex with a SLiM internal ligand
分子名称: ACETYL GROUP, F-box only protein 41, SH3 and multiple ankyrin repeat domains protein 1
著者Li, Y, Trinh, C.H, Wilson, A.J.
登録日2024-02-15
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Biophysical and structural analyses of the interaction between the SHANK1 PDZ domain and an internal SLiM.
Biochem.J., 481, 2024
3LY7
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Crystal structure of the periplasmic domain of CadC
分子名称: Transcriptional activator cadC
著者Eichinger, A, Skerra, A.
登録日2010-02-26
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family.
Protein Sci., 20, 2011
4YE1
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BU of 4ye1 by Molmil
A cytochrome c plus calixarene structure - alternative ligand binding mode
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ...
著者Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B.
登録日2015-02-23
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A cytochrome c-calixarene structure
To Be Published
7YYC
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BU of 7yyc by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 16
分子名称: 2-indol-1-ylethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
4Y3H
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BU of 4y3h by Molmil
Endothiapepsin in complex with fragment 189
分子名称: 2-(pyridin-3-yl)ethanamine, ACETATE ION, Endothiapepsin, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
6F5S
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BU of 6f5s by Molmil
Crystal Structure of KDM4D with tetrazole ligand GF049
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-12-02
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of KDM4D with tetrazole ligand GF049
To be published
7YWM
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Crystal structure of Mycobacterium abcessus Phosphopantetheine adenylyltransferase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-14
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY7
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BU of 7yy7 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11
分子名称: 3-hydroxynaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
5MWF
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BU of 5mwf by Molmil
Human Jagged2 C2-EGF2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
8B3P
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BU of 8b3p by Molmil
CryoEM structure of the round tip (proteins pVII/pVIII/pIX) from the f1 filamentous bacteriophage
分子名称: Capsid protein G8P, Tail virion protein G7P, Tail virion protein G9P
著者Conners, R, McLaren, M, Gold, V.A.M.
登録日2022-09-16
公開日2023-05-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-electron microscopy of the f1 filamentous phage reveals insights into viral infection and assembly.
Nat Commun, 14, 2023
7YY2
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BU of 7yy2 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Compound 20
分子名称: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
4Y51
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BU of 4y51 by Molmil
Endothiapepsin in complex with fragment 52
分子名称: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4RE4
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BU of 4re4 by Molmil
Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Beta-mannosidase/beta-glucosidase, ...
著者Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R.
登録日2014-09-21
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
8B3O
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BU of 8b3o by Molmil
CryoEM structure of the pointy tip (proteins pIII/pVI/pVIII) from the f1 filamentous bacteriophage
分子名称: Attachment protein G3P, Capsid protein G8P, Head virion protein G6P
著者Conners, R, McLaren, M, Gold, V.A.M.
登録日2022-09-16
公開日2023-05-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Cryo-electron microscopy of the f1 filamentous phage reveals insights into viral infection and assembly.
Nat Commun, 14, 2023
6VK1
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BU of 6vk1 by Molmil
CryoEM structure of Hrd1/Hrd3 part from Hrd1-Usa1/Der1/Hrd3 complex
分子名称: ERAD-associated E3 ubiquitin-protein ligase HRD1, ERAD-associated E3 ubiquitin-protein ligase component HRD3
著者Wu, X, Rapoport, T.A.
登録日2020-01-18
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex.
Science, 368, 2020
7YY8
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BU of 7yy8 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 12
分子名称: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 3-(INDOL-3-YL) LACTATE, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.516 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
6POR
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BU of 6por by Molmil
Antimicrobial lasso peptide ubonodin
分子名称: Ubonodin
著者Link, A.J, Cheung-Lee, W.L.
登録日2019-07-05
公開日2019-12-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Discovery of Ubonodin, an Antimicrobial Lasso Peptide Active against Members of the Burkholderia cepacia Complex.
Chembiochem, 21, 2020
4REE
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BU of 4ree by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 6
分子名称: 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
7YY4
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BU of 7yy4 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8
分子名称: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
6S8V
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BU of 6s8v by Molmil
Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-07-10
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Theranostics, 10, 2020
6SDJ
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BU of 6sdj by Molmil
Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol
分子名称: (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-07-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
8BVQ
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E. coli BAM complex (BamABCDE) bound to darobactin B
分子名称: Darobactin-B, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Horne, J.E, Fenn, K.L, Radford, S.E, Ranson, N.A.
登録日2022-12-05
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023

225946

件を2024-10-09に公開中

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