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4CI3
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BU of 4ci3 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to Pomalidomide
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Pomalidomide, ...
Authors:Fischer, E.S, Boehm, K, Thoma, N.H.
Deposit date:2013-12-05
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
3OFJ
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BU of 3ofj by Molmil
Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9
Descriptor: Nodulation protein S
Authors:Cakici, O, Sikorski, M, Stepkowski, T, Bujacz, G, Jaskolski, M.
Deposit date:2010-08-15
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of NodS N-Methyltransferase from Bradyrhizobium japonicum in Ligand-Free Form and as SAH Complex.
J.Mol.Biol., 404, 2010
4FQK
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BU of 4fqk by Molmil
Influenza B/Brisbane/60/2008 hemagglutinin Fab CR8059 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8059 Heavy Chain, ...
Authors:Dreyfus, C, Laursen, N.S, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (5.65 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQJ
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BU of 4fqj by Molmil
Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody CR8071 heavy chain, ...
Authors:Dreyfus, C, Laursen, N.S, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQY
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BU of 4fqy by Molmil
Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin
Descriptor: Antibody CR9114 heavy chain, Antibody CR9114 light chain, Hemagglutinin HA1, ...
Authors:Ekiert, D.C, Dreyfus, C, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (5.253 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQI
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BU of 4fqi by Molmil
Crystal Structure of Fab CR9114 in Complex with a H5N1 influenza virus hemagglutinin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dreyfus, C, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
3PFF
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BU of 3pff by Molmil
Truncated human atp-citrate lyase with ADP and tartrate bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, L(+)-TARTARIC ACID, ...
Authors:Fraser, M.E, Sun, T.
Deposit date:2010-10-28
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ADP-Mg2+ bound to the ATP-grasp domain of ATP-citrate lyase.
Acta Crystallogr.,Sect.F, 67, 2011
4FS4
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BU of 4fs4 by Molmil
Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Stamford, A.
Deposit date:2012-06-26
Release date:2012-10-10
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
4GAV
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BU of 4gav by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with quinone
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase, UBIQUINONE-2
Authors:Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
Deposit date:2012-07-25
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
8FFX
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BU of 8ffx by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ...
Authors:Rumrill, S.R, Ruiz, F.X, Arnold, E.
Deposit date:2022-12-10
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Molecules, 28, 2023
5OVR
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BU of 5ovr by Molmil
X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors
Descriptor: Tyrosine-protein phosphatase non-receptor type 5, [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
Authors:Kack, H, Wissler, L.
Deposit date:2017-08-29
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.
J. Med. Chem., 60, 2017
6OF5
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BU of 6of5 by Molmil
The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P.
Deposit date:2019-03-28
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
5OVX
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BU of 5ovx by Molmil
X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors
Descriptor: Tyrosine-protein phosphatase non-receptor type 5, [(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
Authors:Kack, H, Wissler, L.
Deposit date:2017-08-30
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.
J. Med. Chem., 60, 2017
5OW1
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BU of 5ow1 by Molmil
X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors
Descriptor: Tyrosine-protein phosphatase non-receptor type 5, [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid
Authors:Kack, H, Wissler, L.
Deposit date:2017-08-30
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.
J. Med. Chem., 60, 2017
6OWE
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BU of 6owe by Molmil
Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA
Descriptor: 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate), Crotonyl-CoA carboxylase/reductase, IMIDAZOLE, ...
Authors:DeMirci, H.
Deposit date:2019-05-09
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases.
Proc.Natl.Acad.Sci.USA, 116, 2019
4HW1
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BU of 4hw1 by Molmil
Multiple Crystal structures of an all-AT DNA dodecamer stabilized by weak interactions.
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'), MAGNESIUM ION
Authors:Acosta-Reyes, F, Subirana, J.A, Pous, J, Condom, N, Malinina, L, Campos, J.L.
Deposit date:2012-11-07
Release date:2013-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
6OB1
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BU of 6ob1 by Molmil
Structure of WHB in complex with Ubiquitin Variant
Descriptor: Anaphase-promoting complex subunit 2, Ubiquitin
Authors:Edmond, R.W, Grace, C.R.
Deposit date:2019-03-19
Release date:2019-08-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
5PTI
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BU of 5pti by Molmil
STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II
Descriptor: PHOSPHATE ION, TRYPSIN INHIBITOR, UNKNOWN ATOM OR ION
Authors:Wlodawer, A, Huber, R.
Deposit date:1984-10-05
Release date:1984-10-29
Last modified:2018-10-24
Method:NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
Cite:Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II
J.Mol.Biol., 180, 1984
6PCA
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BU of 6pca by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase
Descriptor: ACETATE ION, Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
8G5C
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BU of 8g5c by Molmil
Structure of ACLY-D1026A-substrates, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Xuepeng, W, Ronen, M.
Deposit date:2023-02-12
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G92
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BU of 8g92 by Molmil
Structure of inhibitor 16d-bound SPNS2
Descriptor: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2
Authors:Chen, H, Li, X.
Deposit date:2023-02-21
Release date:2023-05-24
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
8G5D
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BU of 8g5d by Molmil
Structure of ACLY-D1026A-products, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-13
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
6PFN
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BU of 6pfn by Molmil
Succinyl-CoA synthase from Francisella tularensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-21
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Succinyl-CoA synthase from Francisella tularensis
to be published
6PCB
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BU of 6pcb by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (H356A) in complex with COA
Descriptor: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
4J4R
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BU of 4j4r by Molmil
Hexameric SFTSVN
Descriptor: Nucleocapsid protein
Authors:Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J.
Deposit date:2013-02-07
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential
J.Virol., 87, 2013

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数据于2024-07-17公开中

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