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2MRO
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BU of 2mro by Molmil
Structure of the complex of ubiquitin and the UBA domain from DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1, Polyubiquitin-B
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
5FW6
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BU of 5fw6 by Molmil
Structure of human transthyretin mutant A108V
Descriptor: TRANSTHYRETIN
Authors:Gallego, P, Varejao, N, Santanna, R, Saraiva, M.J, Ventura, S, Reverter, D.
Deposit date:2016-02-12
Release date:2017-03-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
5G5C
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BU of 5g5c by Molmil
Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221
Descriptor: ESTERASE
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5MST
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BU of 5mst by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP and a co-purified carboxylic acid
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, FUMARIC ACID, ...
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5G59
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BU of 5g59 by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121
Descriptor: ESTERASE, MERCURY (II) ION
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5MSR
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BU of 5msr by Molmil
Structure of the unmodified PCP-R domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADPH, P43 form
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSO
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BU of 5mso by Molmil
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP
Descriptor: Carboxylic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSW
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BU of 5msw by Molmil
Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5G5M
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BU of 5g5m by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P21
Descriptor: ESTERASE, S-methyl hexanethioate
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
7QXF
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BU of 7qxf by Molmil
Fructose-6-phosphate aldolase (FSA) mutant R134V, S166G, with covalently bound active site ligand
Descriptor: Fructose-6-phosphate aldolase 1
Authors:Dobritzsch, D, Widersten, M, Engel, S.
Deposit date:2022-01-26
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Engineered aldolases catalyzing stereoselective aldol reactions between aryl-substituted ketones and aldehydes
Catalysis Science And Technology, 13, 2023
5MSP
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BU of 5msp by Molmil
Structure of the unmodified PCP-R didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADP, F2221 form
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSV
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BU of 5msv by Molmil
Structure of the phosphopantetheine modified PCP-R didomain of carboxylic acid reductase (CAR) in complex with NADP
Descriptor: 4'-PHOSPHOPANTETHEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5FO2
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BU of 5fo2 by Molmil
Structure of human transthyretin mutant A108I
Descriptor: TRANSTHYRETIN
Authors:Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D.
Deposit date:2015-11-17
Release date:2016-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
6HGX
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BU of 6hgx by Molmil
Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea
Descriptor: 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
5FXM
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BU of 5fxm by Molmil
Structure of FAE solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
8B6U
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BU of 8b6u by Molmil
Mpf2Ba1 monomer
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
8B6W
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BU of 8b6w by Molmil
Mpf2Ba1 pore
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
5GTC
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BU of 5gtc by Molmil
Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M.
Deposit date:2016-08-19
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
8B6V
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BU of 8b6v by Molmil
Mp2Ba1 pre-pore
Descriptor: MAGNESIUM ION, Mpf2Ba1
Authors:Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R.
Deposit date:2022-09-27
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
6GJ6
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BU of 6gj6 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BQF
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BU of 8bqf by Molmil
Adenylate Kinase L107I MUTANT
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I.
Deposit date:2022-11-21
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6GJ8
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BU of 6gj8 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GUT
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BU of 6gut by Molmil
CRYSTAL STRUCTURE OF NON-TYPEABLE HAEMOPHILUS INFLUENZAE PROTEIN E AND PILA EXPRESSED AS A SINGLE-CHAIN CHIMERIC PROTEIN
Descriptor: 23S rRNA pseudouridine synthase D,PilA, ACETATE ION, GLYCEROL, ...
Authors:Somers, D.
Deposit date:2018-06-19
Release date:2019-05-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Characterization of Protein E-PilA, a Candidate Fusion Antigen for Nontypeable Haemophilus influenzae Vaccine.
Infect.Immun., 87, 2019

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