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7P8E
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BU of 7p8e by Molmil
Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1
分子名称: CALCIUM ION, Receiver domain of histidine kinase
著者Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula .
Front Plant Sci, 12, 2021
8EC4
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BU of 8ec4 by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-09-01
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-08-31
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2022-09-01
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.736 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
分子名称: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
著者Malla, T.N, Schmidt, M.
登録日2022-08-31
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
5JOH
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BU of 5joh by Molmil
CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-1b
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile, COP9 signalosome complex subunit 5, ...
著者Renatus, M, Wiesmann, C.
登録日2016-05-02
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
6BX0
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BU of 6bx0 by Molmil
Atomic resolution structure of human bufavirus 2
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6Z0F
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BU of 6z0f by Molmil
Crystal structure of the membrane pseudokinase YukC/EssB from Bacillus subtilis T7SS
分子名称: ESX secretion system protein YukC
著者Tassinari, M, Bellinzoni, M, Alzari, P.M, Fronzes, R, Gubellini, F.
登録日2020-05-08
公開日2021-05-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献The Antibacterial Type VII Secretion System of Bacillus subtilis: Structure and Interactions of the Pseudokinase YukC/EssB.
Mbio, 13, 2022
6BX1
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BU of 6bx1 by Molmil
Atomic resolution structure of human bufavirus 3
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6BWX
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BU of 6bwx by Molmil
Atomic resolution structure of human bufavirus 1
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
4RMG
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BU of 4rmg by Molmil
Human Sirt2 in complex with SirReal2 and NAD+
分子名称: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
登録日2014-10-21
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
7Q3B
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BU of 7q3b by Molmil
Crystal structure of human STING in complex with 3'3'-c-(2'F,2'dA-isonucA)MP
分子名称: 3'3'-c-(2'F,2'dA-isonucA)MP, Stimulator of interferon genes protein
著者Smola, M, Klima, M, Boura, E.
登録日2021-10-27
公開日2022-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55733919 Å)
主引用文献Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential.
Structure, 30, 2022
7O40
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BU of 7o40 by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
著者Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
登録日2021-04-03
公開日2021-06-30
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Y
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BU of 7o3y by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
著者Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
登録日2021-04-03
公開日2021-06-30
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Z
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BU of 7o3z by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
著者Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
登録日2021-04-03
公開日2021-06-30
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3W
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BU of 7o3w by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
著者Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
登録日2021-04-03
公開日2021-06-30
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3X
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BU of 7o3x by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
著者Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
登録日2021-04-03
公開日2021-06-30
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
4RMH
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BU of 4rmh by Molmil
Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide
分子名称: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ...
著者Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
登録日2014-10-21
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
分子名称: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
著者Khan, J.A, Ruzanov, M.
登録日2022-01-28
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
4RMJ
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BU of 4rmj by Molmil
Human Sirt2 in complex with ADP ribose and nicotinamide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ...
著者Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
登録日2014-10-21
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
7URS
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BU of 7urs by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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BU of 7urq by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
著者Chen, Y, Tolbert, W.D, Pazgier, M.
登録日2022-04-03
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UL0
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BU of 7ul0 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
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, Heavy chain of EH8, ...
著者Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
登録日2022-04-03
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
4RMI
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BU of 4rmi by Molmil
Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide
分子名称: Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ...
著者Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
登録日2014-10-21
公開日2015-02-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015

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