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6QB3
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BU of 6qb3 by Molmil
Apo Mcl1 in a complex with a scFv
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Kazmirski, S, Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB4
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BU of 6qb4 by Molmil
Mcl1-scFv complex with an indole acid inhibitor
分子名称: 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB9
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BU of 6qb9 by Molmil
Structure of an anti-Mcl1 scFv
分子名称: L(+)-TARTARIC ACID, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QBC
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BU of 6qbc by Molmil
structure of anti-Mcl1 Fab
分子名称: Anti-Mcl1 Fab Heavy Chain, Anti-Mcl1 Fab Light Chain
著者Luptak, J.
登録日2018-12-20
公開日2019-11-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QF9
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BU of 6qf9 by Molmil
Structure of an anti-Mcl1 scFv
分子名称: scFv
著者Luptak, J.
登録日2019-01-09
公開日2019-11-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QFC
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BU of 6qfc by Molmil
Structure of an anti-Mcl1 scFv
分子名称: DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Luptak, J.
登録日2019-01-09
公開日2019-11-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
4RAX
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BU of 4rax by Molmil
A regulatory domain of an ion channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Ge, J, Yang, M.
登録日2014-09-11
公開日2015-09-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
4U3B
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BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
分子名称: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
著者Olivier, N.B.
登録日2014-07-19
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6LX3
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BU of 6lx3 by Molmil
Cryo-EM structure of human secretory immunoglobulin A
分子名称: Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor
著者Wang, Y, Wang, G, Li, Y, Xiao, J.
登録日2020-02-10
公開日2020-05-27
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCC
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BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
4MCB
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BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
5VFD
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BU of 5vfd by Molmil
Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
分子名称: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
著者Olivier, N.B, Lahiri, S.
登録日2017-04-07
公開日2017-06-07
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
5ID6
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BU of 5id6 by Molmil
Structure of Cpf1/RNA Complex
分子名称: Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3')
著者Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z.
登録日2016-02-24
公開日2016-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
3U2K
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BU of 3u2k by Molmil
S. aureus GyrB ATPase domain in complex with a small molecule inhibitor
分子名称: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
分子名称: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012

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