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8CNZ
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BU of 8cnz by Molmil
mmLarE-[4Fe-4S] phased by Fe-SAD
Descriptor: CHLORIDE ION, IODIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Pecqueur, L, Zecchin, P, Golinelli-Pimpaneau, B.
Deposit date:2023-02-24
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024
8CP4
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BU of 8cp4 by Molmil
[4Fe-4S] cluster containing LarE in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024
5BSM
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BU of 5bsm by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
Descriptor: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-07
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
Descriptor: Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8X1C
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BU of 8x1c by Molmil
Structure of nucleosome-bound SRCAP-C in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
Deposit date:2023-11-06
Release date:2024-03-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
8X15
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BU of 8x15 by Molmil
Structure of nucleosome-bound SRCAP-C in the apo state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
Deposit date:2023-11-06
Release date:2024-03-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
8X19
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BU of 8x19 by Molmil
Structure of nucleosome-bound SRCAP-C in the ADP-BeFx-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
Deposit date:2023-11-06
Release date:2024-03-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
7L1A
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BU of 7l1a by Molmil
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ...
Authors:Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A.
Deposit date:2020-12-14
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A.
Biochemistry, 60, 2021
7R3B
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BU of 7r3b by Molmil
S-adenosylmethionine synthetase from Lactobacillus plantarum complexed with AMPPNP, methionine and SAM
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, PHENYLALANINE, ...
Authors:Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R.
Deposit date:2022-02-07
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains.
Protein Sci., 31, 2022
7R2W
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BU of 7r2w by Molmil
Mutant S-adenosylmethionine synthetase from E.coli complexed with AMPPNP and methionine
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R.
Deposit date:2022-02-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains.
Protein Sci., 31, 2022
1XRB
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BU of 1xrb by Molmil
S-adenosylmethionine synthetase (MAT, ATP: L-methionine S-adenosyltransferase, E.C.2.5.1.6) in which MET residues are replaced with selenomethionine residues (MSE)
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Takusagawa, F, Kamitori, S, Misaki, S, Markham, G.D.
Deposit date:1995-10-26
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of S-adenosylmethionine synthetase.
J.Biol.Chem., 271, 1996
2HCR
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BU of 2hcr by Molmil
crystal structure of human phosphoribosyl pyrophosphate synthetase 1 in complex with AMP(ATP), cadmium and sulfate ion
Descriptor: ADENOSINE MONOPHOSPHATE, CADMIUM ION, Ribose-phosphate pyrophosphokinase I, ...
Authors:Li, S, Peng, B, Ding, J.
Deposit date:2006-06-18
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site
Biochem.J., 401, 2007
8DBG
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BU of 8dbg by Molmil
Human PRPS1 with Phosphate and ATP; Hexamer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
8DBN
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BU of 8dbn by Molmil
Human PRPS1-E307A engineered mutation with Phosphate, ATP, and R5P; Hexamer
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
8DBJ
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BU of 8dbj by Molmil
Human PRPS1 with Phosphate, ATP, and R5P; Filament Interface
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
8DBK
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BU of 8dbk by Molmil
Human PRPS1 with Phosphate, ATP, and R5P; Hexamer with resolved catalytic loops
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
8DBI
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BU of 8dbi by Molmil
Human PRPS1 with Phosphate, ATP, and R5P; Hexamer
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
8DBH
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BU of 8dbh by Molmil
Human PRPS1 with Phosphate and ATP; Filament Interface
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023
6GN1
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BU of 6gn1 by Molmil
Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75
Descriptor: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
Authors:Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D.
Deposit date:2018-05-29
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An Unusual Intramolecular Halogen Bond Guides Conformational Selection.
Angew. Chem. Int. Ed. Engl., 57, 2018
1ASZ
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BU of 1asz by Molmil
THE ACTIVE SITE OF YEAST ASPARTYL-TRNA SYNTHETASE: STRUCTURAL AND FUNCTIONAL ASPECTS OF THE AMINOACYLATION REACTION
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER)
Authors:Cavarelli, J, Rees, B, Thierry, J.C, Moras, D.
Deposit date:1995-01-19
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction.
EMBO J., 13, 1994
6Y9S
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BU of 6y9s by Molmil
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
Descriptor: ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
Authors:Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
Deposit date:2020-03-10
Release date:2020-05-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6Y9R
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BU of 6y9r by Molmil
Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
Descriptor: ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
Deposit date:2020-03-10
Release date:2020-05-20
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
2XH5
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BU of 2xh5 by Molmil
Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB
Descriptor: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE
Authors:Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2010-06-09
Release date:2010-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010

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