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3VAB
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BU of 3vab by Molmil
Crystal structure of Diaminopimelate decarboxylase from Brucella melitensis bound to PLP
Descriptor: 1,2-ETHANEDIOL, Diaminopimelate decarboxylase 1, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-29
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Diaminopimelate decarboxylase from Brucella melitensis bound to PLP
To be Published
6R8X
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BU of 6r8x by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868
Descriptor: Coagulation factor XI, anti-Factor-XI Fab fragment heavy chain MAA868, anti-Factor-XI Fab fragment light chain MAA868
Authors:Schiering, N, Koch, A.
Deposit date:2019-04-02
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans.
Blood, 133, 2019
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-08
Release date:2019-12-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RC9
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BU of 6rc9 by Molmil
P1 Mycoplasma pneumoniae
Descriptor: Adhesin P1
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
6R5F
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BU of 6r5f by Molmil
Crystal structure of RIP1 kinase in complex with DHP77
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
Authors:Thorpe, J.H, Campobasso, N, Harris, P.A.
Deposit date:2019-03-25
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Descriptor: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
Authors:Boettcher, J.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
6RIZ
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BU of 6riz by Molmil
Crystal structure of gp41-1 intein (C1A, F65W, D107C)
Descriptor: gp41-1 intein
Authors:Beyer, H.M, Lountos, G.T, Mikula, M.K, Wlodawer, A, Iwai, H.
Deposit date:2019-04-25
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Convergence of the Hedgehog/Intein Fold in Different Protein Splicing Mechanisms.
Int J Mol Sci, 21, 2020
6RLN
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BU of 6rln by Molmil
Crystal structure of RIP1 kinase in complex with GSK3145095
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2019-05-02
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
Acs Med.Chem.Lett., 10, 2019
6RRA
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BU of 6rra by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS IN COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Martinez-Julvez, M, Taleb, V, Medina, M.
Deposit date:2019-05-17
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Towards the competent conformation for catalysis in the ferredoxin-NADP+reductase from the Brucella ovis pathogen.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RU5
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BU of 6ru5 by Molmil
human complement C3 in complex with the hC3Nb1 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jensen, R.K, Andersen, G.R.
Deposit date:2019-05-27
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RU3
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BU of 6ru3 by Molmil
Crystal structure of the FP specific nanobody hFPNb1
Descriptor: hFP1Nb1
Authors:Mazarakis, S.M.M, Pedersen, D.V, Laursen, N.S, Andersen, G.R.
Deposit date:2019-05-27
Release date:2019-08-21
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RVH
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BU of 6rvh by Molmil
NADH-dependent Coenzyme A Disulfide Reductase soaked with Menadione
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, MENADIONE, ...
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RUZ
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BU of 6ruz by Molmil
NADH-dependent Coenzyme A Disulfide Reductase
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RZU
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BU of 6rzu by Molmil
Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes in the GTPgammaS bound state
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (14.7 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
Descriptor: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Talibov, V.O, Dobritzsch, D.
Deposit date:2019-06-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
6RZT
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BU of 6rzt by Molmil
Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuehlbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (14.7 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6S05
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BU of 6s05 by Molmil
Cryo-EM structures of Lsg1-TAP pre-60S ribosomal particles
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kargas, V, Warren, A.J.
Deposit date:2019-06-13
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanism of completion of peptidyltransferase centre assembly in eukaryotes.
Elife, 8, 2019
6RKY
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BU of 6rky by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-30
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RI5
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BU of 6ri5 by Molmil
Cryo-EM structures of Lsg1-TAP pre-60S ribosomal particles
Descriptor: 25S RNA, 5.8S rRNA, 5S rRNA, ...
Authors:Kargas, V, Warren, A.J.
Deposit date:2019-04-23
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of completion of peptidyltransferase centre assembly in eukaryotes.
Elife, 8, 2019
6RLR
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BU of 6rlr by Molmil
Crystal structure of CD9 large extracellular loop
Descriptor: CD9 antigen
Authors:Neviani, V, Kroon-Batenburg, L, Lutz, M, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P.
Deposit date:2019-05-02
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
6RLW
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BU of 6rlw by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with inhibitor TH5487
Descriptor: 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, N-glycosylase/DNA lyase
Authors:Masuyer, G, Stenmark, P.
Deposit date:2019-05-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting OGG1 arrests cancer cell proliferation by inducing replication stress.
Nucleic Acids Res., 48, 2020
6RSU
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BU of 6rsu by Molmil
TBK1 in complex with Inhibitor compound 35
Descriptor: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Hillig, R.C, Rengachari, S.
Deposit date:2019-05-22
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
6RZV
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BU of 6rzv by Molmil
Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (20.6 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6SUU
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BU of 6suu by Molmil
NMR structure of KRAS32R G9T conformer G-quadruplex within KRAS promoter region
Descriptor: KRAS32R G9T, POTASSIUM ION
Authors:Marquevielle, J, Salgado, G.
Deposit date:2019-09-16
Release date:2020-02-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of two G-quadruplexes in equilibrium in the KRAS promoter.
Nucleic Acids Res., 48, 2020
6T51
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BU of 6t51 by Molmil
NMR structure of KRAS22RT G-quadruplex forming within KRAS promoter region at physological temperature
Descriptor: KRAS22RT, POTASSIUM ION
Authors:Marquevielle, J, Salgado, G.
Deposit date:2019-10-15
Release date:2019-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H,13C, and15N chemical shift assignments of a G-quadruplex forming sequence within the KRAS proto-oncogene promoter region.
Biomol.Nmr Assign., 12, 2018

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數據於2024-07-17公開中

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