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1YZ0
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BU of 1yz0 by Molmil
R-State AMP Complex Reveals Initial Steps of the Quaternary Transition of Fructose-1,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase, ...
Authors:Iancu, C.V, Mukund, S, Fromm, H.J, Honzatko, R.B.
Deposit date:2005-02-25
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:R-state AMP complex reveals initial steps of the quaternary transition of fructose-1,6-bisphosphatase.
J.Biol.Chem., 280, 2005
4RWG
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BU of 4rwg by Molmil
Crystal structure of the CLR:RAMP1 extracellular domain heterodimer with bound high affinity CGRP analog
Descriptor: CGRP analog, MAGNESIUM ION, Maltose-binding periplasmic protein, ...
Authors:Booe, J, Pioszak, A.
Deposit date:2014-12-03
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Basis for Receptor Activity-Modifying Protein-Dependent Selective Peptide Recognition by a G Protein-Coupled Receptor.
Mol.Cell, 58, 2015
4EY7
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BU of 4ey7 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil
Descriptor: 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3509 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY4
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BU of 4ey4 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
Descriptor: 1,2-ETHANEDIOL, 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, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4GX3
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BU of 4gx3 by Molmil
Product Complexes of Porcine Liver Fructose-1,6-bisphosphatase with mutation R22M Reveal a T-state Conformation
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP
To be Published
2A3H
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BU of 2a3h by Molmil
CELLOBIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 2.0 A RESOLUTION
Descriptor: ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M.
Deposit date:1998-01-22
Release date:1999-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Bacillus agaradherans family 5 endoglucanase at 1.6 A and its cellobiose complex at 2.0 A resolution
Biochemistry, 37, 1998
1LZI
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BU of 1lzi by Molmil
Glycosyltransferase A + UDP + H antigen acceptor
Descriptor: Glycosyltransferase A, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:Patenaude, S.I, Seto, N.O.L, Borisova, S.N, Szpacenko, A, Marcus, S.L, Palcic, M.M, Evans, S.V.
Deposit date:2002-06-10
Release date:2002-08-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The structural basis for specificity in human ABO(H) blood group biosynthesis.
Nat.Struct.Biol., 9, 2002
8YR2
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BU of 8yr2 by Molmil
Structure of NET-Nisoxetine in outward-open state
Descriptor: CHLORIDE ION, CHOLESTEROL, SODIUM ION, ...
Authors:Zhang, H, Xu, E.H, Jiang, Y.
Deposit date:2024-03-20
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
8WBE
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BU of 8wbe by Molmil
CryoEM structure of non-structural protein 1 hexamer 2 from dengue virus type 4
Descriptor: Non-structural protein 1
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
9F99
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BU of 9f99 by Molmil
Crystal structure of MUS81-EME1 bound by compound 10.
Descriptor: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
Authors:Collie, G.W.
Deposit date:2024-05-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8Y4U
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BU of 8y4u by Molmil
Crystal structure of a His1 from oryza sativa
Descriptor: FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase
Authors:Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L.
Deposit date:2024-01-30
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa.
Biochem.Biophys.Res.Commun., 704, 2024
4O6C
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BU of 4o6c by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 2 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, SULFATE ION
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7508 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
9EPW
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BU of 9epw by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
9IJB
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BU of 9ijb by Molmil
Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
Descriptor: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
Authors:Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
Deposit date:2024-06-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.740405 Å)
Cite:Crystal structure and function analysis of 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 731, 2024
8W01
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BU of 8w01 by Molmil
Crystal structure of DUF1735 domain-containing protein (GH18-like) from Bacteroides faecium at 2.7 A resolution (Space group C2)
Descriptor: DUF1735 domain-containing protein
Authors:Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J.
Deposit date:2024-02-13
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8ONU
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BU of 8onu by Molmil
Solution structure of thanatin analogue 7 in complex with LptAm(Ab)1.0
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
Authors:Oi, K.K, Moehle, K, Zerbe, O.
Deposit date:2023-04-04
Release date:2023-06-14
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:Early Molecular Insights into Thanatin Analogues Binding to A. baumannii LptA.
Molecules, 28, 2023
8ZJV
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BU of 8zjv by Molmil
Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X.
Deposit date:2024-05-15
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
8Z76
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BU of 8z76 by Molmil
The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 during 6 months
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ...
Authors:Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-04-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2
To Be Published
8WBD
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BU of 8wbd by Molmil
CryoEM structure of non-structural protein 1 hexamer 1 from dengue virus type 4
Descriptor: Genome polyprotein, TRISTEAROYLGLYCEROL
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
9C61
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BU of 9c61 by Molmil
Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
Descriptor: (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-06-07
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
To be published
9EPZ
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BU of 9epz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
8W0K
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BU of 8w0k by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate
Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2024-02-13
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
8YIF
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BU of 8yif by Molmil
Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarviosin
Descriptor: Acarviosin, Alpha-glucosidase
Authors:Saburi, W, Tagami, T, Yu, J, Ose, T, Yao, M, Mori, H.
Deposit date:2024-02-29
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular mechanism for the substrate specificity of Arthrobacter globiformis M6 alpha-glucosidase CmmB, belonging to glycoside hydrolase family 13 subfamily 30
Food Biosci, 61, 2024
8XY0
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BU of 8xy0 by Molmil
Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase A
Authors:Nakamura, T, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K.
Deposit date:2024-01-19
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024

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PDB entries from 2024-08-21

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