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4NFN
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Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
分子名称: 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NFM
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Human tau tubulin kinase 1 (TTBK1)
分子名称: GLYCEROL, Tau-tubulin kinase 1
著者Sheriff, S.
登録日2013-10-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4WVS
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BU of 4wvs by Molmil
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4EMD
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BU of 4emd by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to CMP and SO4
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, CYTIDINE-5'-MONOPHOSPHATE, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-11
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4EGE
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BU of 4ege by Molmil
Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans
分子名称: 1,2-ETHANEDIOL, Dipeptidase PepE, UNKNOWN ATOM OR ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-30
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4WY6
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BU of 4wy6 by Molmil
Crystal structure of human BACE-1 bound to Compound 36
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Vajdos, F.F.
登録日2014-11-15
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
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, BD55-5514H, BD55-5514L, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-06
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
6WJ1
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BU of 6wj1 by Molmil
Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
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, Fab 54-4H03 heavy chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
4WVU
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BU of 4wvu by Molmil
CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
1CHZ
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BU of 1chz by Molmil
A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH
分子名称: CHLORIDE ION, PROTEIN (BMK M2)
著者He, X.L, Deng, J.P, Li, H.M, Wang, D.C.
登録日1999-03-31
公開日2000-03-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of a new neurotoxin from the scorpion Buthus martensii Karsch at 1.76 A.
Acta Crystallogr.,Sect.D, 56, 2000
6WIY
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BU of 6wiy by Molmil
Crystal structure of Fab 54-1G05
分子名称: Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
8H3Z
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BU of 8h3z by Molmil
Crystal structure of the effector-binding domain of the LysR-type trasncription factor NtcB from Anabaena PCC 7120
分子名称: IODIDE ION, NtcB
著者Han, S.J, Jiang, Y.L, Zhou, C.Z.
登録日2022-10-09
公開日2023-10-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
6WIZ
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BU of 6wiz by Molmil
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
4YGX
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BU of 4ygx by Molmil
Crystal Structure of D. melanogaster Ssu72+Symplekin bound to cis peptidomimetic CTD phospho-Ser5 peptide
分子名称: LD40846p, Symplekin, cis peptidomimetic CTD phospho-Ser5 peptide
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
4YH1
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BU of 4yh1 by Molmil
Structure of Human Scp1 bound to cis-proline peptidomimetic CTD phospho-Ser5 peptide
分子名称: A small phosphatase 1, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
分子名称: BD55-3546H, BD55-3546L, Spike protein S1, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7V2Z
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BU of 7v2z by Molmil
ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ...
著者Lin, M.M, Yang, H.T.
登録日2021-08-10
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10101676 Å)
主引用文献Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
7Y0C
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BU of 7y0c by Molmil
Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD
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, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-04
公開日2022-09-28
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
分子名称: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
著者Liu, J, Vann, K.R, Kutateladze, T.G.
登録日2020-05-07
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
4X2L
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BU of 4x2l by Molmil
Crystal structure of human BACE-1 bound to Compound 6
分子名称: (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Vajdos, F.F, Parris, K.
登録日2014-11-26
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
6WW3
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BU of 6ww3 by Molmil
Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ...
著者Liu, J, Vann, K.R, Kutateladze, T.G.
登録日2020-05-07
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
7UJD
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PSMD2 Structure bound to MC1 and Fab8/14
分子名称: 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-30
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
7UIH
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PSMD2 Structure
分子名称: 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ...
著者Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
登録日2022-03-29
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
5EIG
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Engineered human cystathionine gamma lyase (E59T, E339V) to deplet cysteine
分子名称: CYSTEINE, Cystathionine gamma-lyase, SULFATE ION
著者Yan, W, Zhang, J.
登録日2015-10-29
公開日2016-11-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systemic Depletion of Serum L-Cyst(e)ine with an Engineered Human Enzyme Mediates Potent Induction of ROS and Cancer Ablation
To Be Published

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件を2024-07-17に公開中

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