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1BTL
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BU of 1btl by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TEM1 BETA-LACTAMASE AT 1.8 ANGSTROMS RESOLUTION
Descriptor: BETA-LACTAMASE TEM1, SULFATE ION
Authors:Jelsch, C, Mourey, L, Masson, J.M, Samama, J.P.
Deposit date:1993-11-01
Release date:1995-01-26
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Escherichia coli TEM1 beta-lactamase at 1.8 A resolution.
Proteins, 16, 1993
6MNI
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BU of 6mni by Molmil
Structure of the tandem CACHE domain of PscC
Descriptor: CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ...
Authors:Johnston, J.M, Gerth, M.L, Ehrhardt, M.K.G.
Deposit date:2018-10-01
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition.
Biochem.Biophys.Res.Commun., 549, 2021
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
6MH5
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BU of 6mh5 by Molmil
Crystal Structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from Staphylococcus schleiferi in complex with Fosmidomycin (FOM)
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID
Authors:Lee, S.G, Jez, J.M.
Deposit date:2018-09-17
Release date:2020-03-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.887 Å)
Cite:Potent, specific MEPicides for treatment of zoonotic staphylococci.
Plos Pathog., 16, 2020
1A3E
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BU of 1a3e by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
Authors:Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
Deposit date:1998-01-21
Release date:1998-06-03
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
6N4X
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BU of 6n4x by Molmil
Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6ZQU
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BU of 6zqu by Molmil
Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
6MH8
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BU of 6mh8 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct
Authors:Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
6ZQJ
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BU of 6zqj by Molmil
Cryo-EM structure of trimeric prME spike of Spondweni virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-09
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
6ZQV
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BU of 6zqv by Molmil
Cryo-EM structure of mature Spondweni virus
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
6N2F
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BU of 6n2f by Molmil
Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 2)
Descriptor: Diaminopimelate decarboxylase 2, chloroplastic, LYSINE, ...
Authors:Crowther, J.M, Dobson, R.C.J.
Deposit date:2018-11-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase
To Be Published
6Z29
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BU of 6z29 by Molmil
Structure of eIF4G1 (37-49) - PUB1 RRM3 chimera in solution
Descriptor: Eukaryotic initiation factor 4F subunit p150,Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1
Authors:Chaves-Arquero, B, Martinez-Lumbreras, S, Perez-Canadillas, J.M.
Deposit date:2020-05-15
Release date:2021-05-26
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:eIF4G1 N-terminal intrinsically disordered domain is a multi-docking station for RNA, Pab1, Pub1, and self-assembly.
Front Mol Biosci, 9, 2022
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6ZQW
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BU of 6zqw by Molmil
Cryo-EM structure of immature Spondweni virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
6MRN
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BU of 6mrn by Molmil
Crystal Structure of ChlaDUB2 DUB domain
Descriptor: Deubiquitinase and deneddylase Dub2
Authors:Hausman, J.M, Das, C.
Deposit date:2018-10-15
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
6MS8
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BU of 6ms8 by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin
Descriptor: Chalcone-flavonone isomerase family protein, NARINGENIN
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-10-16
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
6N4Y
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BU of 6n4y by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
Descriptor: 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, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.262 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6ZQI
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BU of 6zqi by Molmil
Cryo-EM structure of Spondweni virus prME
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-09
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
6N64
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BU of 6n64 by Molmil
Crystal structure of mouse SMCHD1 hinge domain
Descriptor: Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1
Authors:Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M.
Deposit date:2018-11-25
Release date:2020-06-17
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
6N51
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BU of 6n51 by Molmil
Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6NCM
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BU of 6ncm by Molmil
Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like (FHL) DNA sequence
Descriptor: DNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*CP*TP*AP*AP*GP*AP*CP*GP*CP*TP*A)-3'), Forkhead box protein N3, ...
Authors:Rogers, J.M, Jarrett, S.M, Seegar, T.C, Waters, C.T, Hallworth, A.N, Blacklow, S.C, Bulyk, M.L.
Deposit date:2018-12-11
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes.
Mol. Cell, 74, 2019
6NDY
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BU of 6ndy by Molmil
Vps4 with Cyclic Peptide Bound in the Central Pore
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ...
Authors:Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P.
Deposit date:2018-12-14
Release date:2019-08-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
6NRH
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BU of 6nrh by Molmil
Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63
Descriptor: 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
1ABN
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BU of 1abn by Molmil
THE CRYSTAL STRUCTURE OF THE ALDOSE REDUCTASE NADPH BINARY COMPLEX
Descriptor: ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Borhani, D.W, Harter, T.M, Petrash, J.M.
Deposit date:1992-09-03
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the aldose reductase.NADPH binary complex.
J.Biol.Chem., 267, 1992
6NO8
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BU of 6no8 by Molmil
PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, wang, X.
Deposit date:2019-01-15
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma
To be published

222415

건을2024-07-10부터공개중

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