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3BEC
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BU of 3bec by Molmil
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic cephalosporin
Descriptor: (2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 5
Authors:Powell, A.J, Davies, C.
Deposit date:2007-11-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of complexes of bacterial DD-peptidases with peptidoglycan-mimetic ligands: the substrate specificity puzzle
J.Mol.Biol., 381, 2008
8B10
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BU of 8b10 by Molmil
Crystal Structure of Shank2-SAM mutant domain - L1800W
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bento, I, Gracia Alai, M, Kreienkamp, J.-H.
Deposit date:2022-09-08
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans.
Mol Psychiatry, 2022
8ATJ
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BU of 8atj by Molmil
Crystal Structure of Shank2-SAM domain
Descriptor: CHLORIDE ION, FORMIC ACID, Isoform 4 of SH3 and multiple ankyrin repeat domains protein 2, ...
Authors:Bento, I, Gracia Alai, M, Kreienkamp, J.-H.
Deposit date:2022-08-23
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans.
Mol Psychiatry, 2022
8B40
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BU of 8b40 by Molmil
Structure of homomeric LRRC8C Volume-Regulated Anion Channel
Descriptor: Volume-regulated anion channel subunit LRRC8C
Authors:Sawicka, M, Dutzler, R.
Deposit date:2022-09-19
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of a volume-regulated heteromeric LRRC8A/C channel.
Nat.Struct.Mol.Biol., 30, 2023
8B41
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BU of 8b41 by Molmil
Structure of heteromeric LRRC8A/C (1:1 co-transfected) Volume-Regulated Anion Channel in complex with synthetic nanobody Sb1
Descriptor: Synthetic nanobody Sb1, Volume-regulated anion channel subunit LRRC8A, Volume-regulated anion channel subunit LRRC8C
Authors:Sawicka, M, Dutzler, R.
Deposit date:2022-09-19
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of a volume-regulated heteromeric LRRC8A/C channel.
Nat.Struct.Mol.Biol., 30, 2023
3T4N
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BU of 3t4n by Molmil
Structure of the regulatory fragment of Saccharomyces cerevisiae AMPK in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ...
Authors:Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmdit, M.C, Gamblin, S.J, Carling, D.
Deposit date:2011-07-26
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
8AVG
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BU of 8avg by Molmil
Cryo-EM structure of mouse Elp123 with bound SAM
Descriptor: Elongator complex protein 1, Elongator complex protein 2, Elongator complex protein 3, ...
Authors:Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
2Y8F
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BU of 2y8f by Molmil
Structure of the Ran-binding domain from human RanBP3 (wild type)
Descriptor: CHLORIDE ION, GLYCEROL, RAN-BINDING PROTEIN 3
Authors:Langer, K, Dian, C, Rybin, V, Muller, C.W, Petosa, C.
Deposit date:2011-02-06
Release date:2011-02-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights Into the Function of the Crm1 Cofactor Ranbp3 from the Structure of its Ran-Binding Domain
Plos One, 6, 2011
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
5HRC
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BU of 5hrc by Molmil
Crystal structure of an aspartate/glutamate racemase in complex with L-aspartate
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ASPARTIC ACID, aspartate/glutamate racemase
Authors:Liu, X, Gao, F, Ma, Y, Liu, S, Cui, Y, Yuan, Z, Kang, X.
Deposit date:2016-01-23
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:Crystal structure and molecular mechanism of an aspartate/glutamate racemase from Escherichia coli O157
Febs Lett., 590, 2016
1SK3
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BU of 1sk3 by Molmil
Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
Descriptor: NICKEL (II) ION, Peptidoglycan recognition protein I-alpha, SULFATE ION
Authors:Guan, R, Malchiodi, E.L, Qian, W, Schuck, P, Mariuzza, R.A.
Deposit date:2004-03-04
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
J.Biol.Chem., 279, 2004
2Y8O
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BU of 2y8o by Molmil
Crystal structure of human p38alpha complexed with a MAPK docking peptide
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Barkai, T, Garai, A, Toeroe, I, Remenyi, A.
Deposit date:2011-02-08
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
4IFI
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BU of 4ifi by Molmil
Structure of human BRCA1 BRCT in complex with BAAT peptide
Descriptor: ACETATE ION, BAAT peptide, Breast cancer type 1 susceptibility protein
Authors:Liu, X, Ladias, J.A.A.
Deposit date:2012-12-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the BRCA1 BRCT Interaction with the Proteins ATRIP and BAAT1.
Biochemistry, 52, 2013
5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
Descriptor: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
Authors:Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-18
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
2YKH
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BU of 2ykh by Molmil
Sensor region of a sensor histidine kinase
Descriptor: PROBABLE SENSOR HISTIDINE KINASE PDTAS
Authors:Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A.
Deposit date:2011-05-27
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
3MKZ
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BU of 3mkz by Molmil
Structure of SopB(155-272)-18mer complex, P21 form
Descriptor: CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*GP*AP*CP*CP*AP*TP*GP*GP*TP*CP*CP*CP*AP*G)-3'), Protein sopB
Authors:Schumacher, M.A.
Deposit date:2010-04-15
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes.
Nucleic Acids Res., 38, 2010
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
Descriptor: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Cowan-Jacob, S.W, Scheufler, C.
Deposit date:2017-01-30
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1KV7
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BU of 1kv7 by Molmil
Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
Descriptor: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
Authors:Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
Deposit date:2002-01-25
Release date:2002-02-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
6TET
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BU of 6tet by Molmil
The structure of CYP121 in complex with inhibitor L21
Descriptor: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ...
Authors:Adam, S, Koehnke, J.
Deposit date:2019-11-12
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49986887 Å)
Cite:Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TEV
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BU of 6tev by Molmil
The structure of CYP121 in complex with inhibitor L44
Descriptor: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ...
Authors:Adam, S, Koehnke, J.
Deposit date:2019-11-12
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.70001268 Å)
Cite:Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TE7
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BU of 6te7 by Molmil
The structure of CYP121 in complex with inhibitor S2
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ...
Authors:Adam, S, Koehnke, J.
Deposit date:2019-11-11
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.50001824 Å)
Cite:Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
5MZ6
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BU of 5mz6 by Molmil
Cryo-EM structure of a Separase-Securin complex from Caenorhabditis elegans at 3.8 A resolution
Descriptor: Interactor of FizzY protein, SEParase
Authors:Boland, A, Martin, T.G, Zhang, Z, Yang, J, Bai, X.C, Chang, L, Scheres, S.H.W, Barford, D.
Deposit date:2017-01-31
Release date:2017-03-08
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a metazoan separase-securin complex at near-atomic resolution.
Nat. Struct. Mol. Biol., 24, 2017
5N66
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BU of 5n66 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
5JL7
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BU of 5jl7 by Molmil
HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1): ANDROSTENEDIONE COMPLEX #3
Descriptor: 4-ANDROSTENE-3-17-DIONE, Aromatase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D, Lo, J, Egbuta, C.
Deposit date:2016-04-26
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Testosterone complex and non-steroidal ligands of human aromatase.
J. Steroid Biochem. Mol. Biol., 2018

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