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6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
分子名称: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
著者Thorpe, J.H, Harris, P.A.
登録日2018-08-28
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
7CN9
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BU of 7cn9 by Molmil
Cryo-EM structure of SARS-CoV-2 Spike ectodomain
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Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
登録日2020-07-30
公開日2020-08-26
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
7YLM
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BU of 7ylm by Molmil
Cryo-EM structure of 8-subunit Smc5/6 hinge region
分子名称: MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5
著者Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2022-07-26
公開日2024-01-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.17 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8D1W
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BU of 8d1w by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
分子名称: 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone
Frontiers in Molecular Bioscience, 2022
7C0Q
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BU of 7c0q by Molmil
a Legionella pneumophila effector Lpg2505
分子名称: GLYCEROL, effector Lpg2505
著者Chen, T.T, Han, A.D, Luo, Z.Q, McCloskey, A, Perri, K.
登録日2020-05-01
公開日2021-02-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The metaeffector MesI regulates the activity of the Legionella effector SidI through direct protein-protein interactions.
Microbes Infect., 23, 2021
5YA5
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BU of 5ya5 by Molmil
CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR
分子名称: 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor
著者Liu, Q, Xu, Y.
登録日2017-08-30
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors
Eur J Med Chem, 143, 2018
8EBM
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BU of 8ebm by Molmil
Structure of KLHDC2 substrate binding domain bound to KLHDC2's C-degron mimic
分子名称: ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8EBN
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BU of 8ebn by Molmil
Structure of KLHDC2-EloB/C tetrameric assembly
分子名称: Elongin-B, Elongin-C, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8EBL
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BU of 8ebl by Molmil
Structure of KLHDC2 substrate binding domain bound to C-degron from EPHB2
分子名称: GLU-ASP-SER-HIS-LYS-GLU-SER-ASN-ASP-CYS-SER-CYS-GLY-GLY, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
2MRP
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BU of 2mrp by Molmil
NMR solution structure of the Ubiquitin like domain (UBL) of DNA-damage-inducible 1 protein (Ddi1)
分子名称: DNA damage-inducible protein 1
著者Nowicka, U, Fushman, D, Chen, T.
登録日2014-07-14
公開日2015-03-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
6KI2
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BU of 6ki2 by Molmil
The STAS domain of cyanobacteria bicarbonate transporter BicA
分子名称: Low affinity sulfate transporter, SULFATE ION
著者Zhang, P, Wang, C.C.
登録日2019-07-17
公開日2019-11-20
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
6OHO
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BU of 6oho by Molmil
Structure of human Phospholipase D2 catalytic domain
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Phospholipase D2, ...
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHP
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BU of 6ohp by Molmil
Structure of compound 1 (halopemide) bound human Phospholipase D2 catalytic domain
分子名称: GLYCEROL, N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide, Phospholipase D2, ...
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHQ
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BU of 6ohq by Molmil
Structure of compound 4 bound human Phospholipase D2 catalytic domain
分子名称: 4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide, Phospholipase D2, SULFATE ION
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHR
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BU of 6ohr by Molmil
Structure of compound 5 bound human Phospholipase D1 catalytic domain
分子名称: 4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide, Phospholipase D1, chimeric constuct
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6KI1
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BU of 6ki1 by Molmil
The transmembrane domain of a cyanobacterium bicarbonate transporter BicA
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BICARBONATE ION, Low affinity sulfate transporter, ...
著者Zhang, P, Wang, C.C.
登録日2019-07-17
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ...
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
8HKC
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BU of 8hkc by Molmil
Cryo-EM structure of E. coli RNAP sigma32 complex
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wu, S, Ma, L.X.
登録日2022-11-25
公開日2023-05-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structural Insight into the Mechanism of sigma 32-Mediated Transcription Initiation of Bacterial RNA Polymerase.
Biomolecules, 13, 2023
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
分子名称: Heat shock protein HSP 90-alpha
著者Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
登録日2019-08-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
5XHR
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BU of 5xhr by Molmil
Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1
分子名称: (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2017-04-24
公開日2017-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases
Antimicrob. Agents Chemother., 61, 2017
7UWU
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BU of 7uwu by Molmil
Starch adherence system protein 6 (Sas6)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Starch Adherence System protein 6 (Sas6), ...
著者Photenhauer, A.L, Koropatkin, N.M.
登録日2022-05-04
公開日2023-06-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
7UWW
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BU of 7uww by Molmil
Sas6 with alpha-cyclodextrin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
著者Photenhauer, A.L, Koropatkin, N.M.
登録日2022-05-04
公開日2023-06-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
7UWV
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BU of 7uwv by Molmil
CBM74 from Ruminococcus bromii Sas6 with maltodecaose
分子名称: CALCIUM ION, CBM74, SODIUM ION, ...
著者Photenhauer, A.L, Koropatkin, N.M.
登録日2022-05-04
公開日2023-06-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
7Z8E
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BU of 7z8e by Molmil
Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment
分子名称: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ...
著者Morera, S, Vigouroux, V, Travin, D.Y.
登録日2022-03-17
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria.
Mbio, 14, 2023

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