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6FKP
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BU of 6fkp by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide
分子名称: ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-24
公開日2018-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FLE
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BU of 6fle by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-01-25
公開日2019-02-06
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 ERK2 in complex with an adenosine derivative
To be published
6F8D
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BU of 6f8d by Molmil
Crystal structure of Human ARS2 residues 171-270 + 408-763 (P65 form)
分子名称: Serrate RNA effector molecule homolog
著者Cusack, S, Schulze, W.M.
登録日2017-12-13
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Structural analysis of human ARS2 as a platform for co-transcriptional RNA sorting.
Nat Commun, 9, 2018
6F8R
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BU of 6f8r by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-54
分子名称: (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Prosdocimi, T, Donini, S, Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.826 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6FC8
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BU of 6fc8 by Molmil
CHK1 KINASE IN COMPLEX WITH COMPOUND 13
分子名称: 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Read, J.A, Breed, J.
登録日2017-12-20
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
6FCK
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BU of 6fck by Molmil
CHK1 KINASE IN COMPLEX WITH COMPOUND 13
分子名称: 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Read, J.A, Breed, J.
登録日2017-12-20
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
6FDC
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BU of 6fdc by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a
分子名称: (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, ...
著者Prosdocimi, T, Donini, S, Parisini, E.
登録日2017-12-22
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6C04
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BU of 6c04 by Molmil
Mtb RNAP Holo/RbpA/double fork DNA -closed clamp
分子名称: DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M.
登録日2017-12-27
公開日2018-03-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
6CA9
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BU of 6ca9 by Molmil
Crystal structure of Fab PCT64_LMCA (SAR), the least mutated common ancestor of the HIV-1 broadly neutralizing antibody lineage PCT64
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PCT64_LMCA Fab heavy chain, ...
著者Omorodion, O, Wilson, I.A.
登録日2018-01-29
公開日2018-06-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
6C53
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BU of 6c53 by Molmil
Cryo-EM structure of the Type 1 pilus rod
分子名称: Type-1 fimbrial protein, A chain
著者Zheng, W, Wang, F, Luna-Rico, A, Francetic, O, Hultgren, S.J, Egelman, E.H.
登録日2018-01-13
公開日2018-01-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Functional role of the type 1 pilus rod structure in mediating host-pathogen interactions.
Elife, 7, 2018
6C3O
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BU of 6c3o by Molmil
Cryo-EM structure of human KATP bound to ATP and ADP in quatrefoil form
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
著者Lee, K.P.K, Chen, J, MacKinnon, R.
登録日2018-01-10
公開日2018-01-31
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular structure of human KATP in complex with ATP and ADP
Elife, 6, 2017
6CA7
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BU of 6ca7 by Molmil
Crystal structure of PCT64_13C, a strain specific anti-HIV antibody
分子名称: PCT64_13C heavy chain, PCT64_13C light chain
著者Murrell, S, Wilson, I.A.
登録日2018-01-29
公開日2018-06-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.643 Å)
主引用文献Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
6FPU
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BU of 6fpu by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aS,5aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
著者Nguyen, A, Heine, A, Klebe, G.
登録日2018-02-12
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
4L5M
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BU of 4l5m by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH6.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION
著者Hoh, F, Rouhana, J.
登録日2013-06-11
公開日2013-10-30
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.
J.Med.Chem., 56, 2013
4J8S
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BU of 4j8s by Molmil
Crystal structure of human CNOT1 MIF4G domain in complex with a TTP peptide
分子名称: CCR4-NOT transcription complex subunit 1, Tristetraprolin
著者Frank, F, Fabian, M.R, Rouya, C, Siddiqui, N, Lai, W.S, Karetnikov, A, Blackshear, P.J, Sonenberg, N, Nagar, B.
登録日2013-02-14
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the recruitment of the human CCR4-NOT deadenylase complex by tristetraprolin.
Nat.Struct.Mol.Biol., 20, 2013
6FRP
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BU of 6frp by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-azido-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-02-16
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献None
To be published
4CQL
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BU of 4cql by Molmil
Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD
分子名称: CARBONYL REDUCTASE FAMILY MEMBER 4, ESTRADIOL 17-BETA-DEHYDROGENASE 8, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Venkatesan, R, Sah-Teli, S.K, Awoniyi, L.O, Jiang, G, Prus, P, Kastaniotis, A.J, Hiltunen, J.K, Wierenga, R.K, Chen, Z.
登録日2014-02-19
公開日2014-09-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Insights Into Mitochondrial Fatty Acid Synthesis from the Structure of Heterotetrameric 3-Ketoacyl-Acp Reductase/3R-Hydroxyacyl-Coa Dehydrogenase.
Nat.Commun., 5, 2014
2N19
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BU of 2n19 by Molmil
STIL binding to the Polo-box domain 3 of PLK4 regulates centriole duplication
分子名称: Serine/threonine-protein kinase PLK4
著者Boehm, R, Arquint, C, Gabryjonczyk, A, Imseng, S, Sauer, E, Hiller, S, Nigg, E, Maier, T.
登録日2015-03-24
公開日2015-08-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015
6FM2
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BU of 6fm2 by Molmil
CARP domain of mouse cyclase-associated protein 1 (CAP1) bound to ADP-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Kotila, T.M, Kogan, K, Lappalainen, P.
登録日2018-01-30
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of actin monomer re-charging by cyclase-associated protein.
Nat Commun, 9, 2018
5YW9
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BU of 5yw9 by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with ATPgammaS (class1 5.0A)
分子名称: ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Chen, L, Wu, J.X.
登録日2017-11-29
公開日2018-05-02
最終更新日2018-06-13
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
5YWB
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BU of 5ywb by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with Mg-ADP (CTD class2 at 5.2A)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
著者Chen, L, Wu, J.X.
登録日2017-11-29
公開日2018-05-30
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
5YWC
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BU of 5ywc by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with Mg-ADP (CTD class1 at 4.3A)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
著者Chen, L, Wu, J.X.
登録日2017-11-29
公開日2018-05-02
最終更新日2018-06-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
6FQ7
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BU of 6fq7 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-02-13
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献None
To be published
6CKS
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BU of 6cks by Molmil
Crystal Structure of BRD4 with QC4956
分子名称: 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4
著者Hosfield, D.J.
登録日2018-02-28
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CCU
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BU of 6ccu by Molmil
Complex between a GID4 fragment and a short peptide
分子名称: Glucose-induced degradation protein 4 homolog, Short peptide, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-07
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018

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件を2024-07-17に公開中

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