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5NNY
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BU of 5nny by Molmil
Crystal structure of the phosphatase domain from the Legionella effector WipB
Descriptor: WipB
Authors:Pinotsis, N, Waksman, G, Prevost, M.S.
Deposit date:2017-04-10
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Legionella effector WipB is a translocated Ser/Thr phosphatase that targets the host lysosomal nutrient sensing machinery.
Sci Rep, 7, 2017
5D1J
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BU of 5d1j by Molmil
CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
Descriptor: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:Sack, J.S.
Deposit date:2015-08-04
Release date:2015-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent
J.Med.Chem., 47, 2004
4R5Z
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BU of 4r5z by Molmil
Crystal structure of Rv3772 encoded aminotransferase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Nasir, N, Anant, A, Vyas, R, Biswal, B.K.
Deposit date:2014-08-22
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities
Sci Rep, 6, 2016
7KKH
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BU of 7kkh by Molmil
P1A4 Fab in complex with ARS1620
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, P1A4 Fab Heavy Chain, P1A4 Fab Light Chain, ...
Authors:Basu, K, Rohweder, P.J, Zhang, Z, Bohn, M.-F, Shokat, K, Craik, C.S.
Deposit date:2020-10-27
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy.
Cancer Cell, 40, 2022
7F4H
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BU of 7f4h by Molmil
Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16
Descriptor: Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
7F4F
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BU of 7f4f by Molmil
Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16
Descriptor: Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor.
Cell Res., 31, 2021
8AHR
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BU of 8ahr by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense in holo form with PLP
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
Deposit date:2022-07-22
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
Molecules, 28, 2023
4U4F
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BU of 4u4f by Molmil
Structure of GluA2* in complex with partial agonist (S)-5-Nitrowillardiine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, ...
Authors:Yelshanskaya, M.V, Li, M, Sobolevsky, A.I.
Deposit date:2014-07-23
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.79 Å)
Cite:Structure of an agonist-bound ionotropic glutamate receptor.
Science, 345, 2014
3U6K
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BU of 3u6k by Molmil
Ef-tu (escherichia coli) in complex with nvp-ldk733
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D.J.
Deposit date:2011-10-12
Release date:2012-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
3U6B
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BU of 3u6b by Molmil
Ef-tu (escherichia coli) in complex with nvp-ldi028
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D.J.
Deposit date:2011-10-12
Release date:2012-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
6HR7
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BU of 6hr7 by Molmil
HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A resolution
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ...
Authors:Wagner, T, Voegeli, B, Erb, T.J, Shima, S.
Deposit date:2018-09-26
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
5JCT
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BU of 5jct by Molmil
Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24
Descriptor: DIMETHYL SULFOXIDE, FE (III) ION, GLYCEROL, ...
Authors:Ali, S, van Montfort, R.
Deposit date:2016-04-15
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen.
J. Med. Chem., 60, 2017
4J2X
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BU of 4j2x by Molmil
CSL (RBP-Jk) with corepressor KyoT2 bound to DNA
Descriptor: 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ...
Authors:Collins, K.J, Kovall, R.A.
Deposit date:2013-02-05
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Function of the CSL-KyoT2 Corepressor Complex: A Negative Regulator of Notch Signaling.
Structure, 22, 2014
6HR8
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BU of 6hr8 by Molmil
HMG-CoA reductase from Methanothermococcus thermolithotrophicus in complex with NADPH at 2.9 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, HMG-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wagner, T, Voegeli, B, Erb, T.J, Shima, S.
Deposit date:2018-09-26
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
5OK8
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BU of 5ok8 by Molmil
Crystal structure of protein Lpp20 (HP1456) from Helicobacter pylori
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, LPP20 lipoprotein
Authors:Zanotti, G, Mishra, N, Valesse, F.
Deposit date:2017-07-25
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Helicobacter pylori antigenic Lpp20 is a structural homologue of Tip alpha and promotes epithelial-mesenchymal transition.
Biochim. Biophys. Acta, 1861, 2017
3NR6
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BU of 3nr6 by Molmil
Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease
Descriptor: PHOSPHATE ION, POTASSIUM ION, Protease p14
Authors:Lubkowski, J, Li, M, Gustchina, A, Zhou, D, Dauter, Z, Wlodawer, A.
Deposit date:2010-06-30
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of XMRV protease differs from the structures of other retropepsins.
Nat.Struct.Mol.Biol., 18, 2011
5GQU
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BU of 5gqu by Molmil
Crystal structure of branching enzyme from Cyanothece sp. ATCC 51142
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
J. Biol. Chem., 292, 2017
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
Authors:Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
5GQX
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BU of 5gqx by Molmil
Crystal structure of branching enzyme W610N mutant from Cyanothece sp. ATCC 51142 in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
J. Biol. Chem., 292, 2017
5GQW
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BU of 5gqw by Molmil
Crystal structure of branching enzyme W610N mutant from Cyanothece sp. ATCC 51142
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
J. Biol. Chem., 292, 2017
2AIO
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BU of 2aio by Molmil
Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam
Descriptor: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J.
Deposit date:2005-07-30
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
5GQV
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BU of 5gqv by Molmil
Crystal structure of branching enzyme from Cyanothece sp. ATCC 51142 in complex with maltohexaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
J. Biol. Chem., 292, 2017
4HYA
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BU of 4hya by Molmil
HYALURONIC ACID, THE ROLE OF DIVALENT CATIONS IN CONFORMATION AND PACKING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid, CALCIUM ION
Authors:Arnott, S.
Deposit date:1977-11-20
Release date:1980-03-28
Last modified:2024-02-28
Method:FIBER DIFFRACTION (3 Å)
Cite:Hyaluronic acid: the role of divalent cations in conformation and packing.
J.Mol.Biol., 117, 1977
6XZO
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BU of 6xzo by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7FHU
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BU of 7fhu by Molmil
Crystal structure of Multi-functional Polysaccharide lyase Smlt1473 from Stenotrophomonas maltophilia (strain K279a) in apo form at pH 8.5
Descriptor: Polysaccharide lyase, SULFATE ION
Authors:Pandey, S, Berger, B.W, Acharya, R.
Deposit date:2021-07-30
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural insights into the mechanism of pH-selective substrate specificity of the polysaccharide lyase Smlt1473.
J.Biol.Chem., 297, 2021

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