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5G30
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BU of 5g30 by Molmil
Crystallographic structure of mutant D60S of thioredoxin from Litopenaeus vannamei
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, THIOREDOXIN
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2016-04-18
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Is dimerization a common feature in thioredoxins? The case of thioredoxin from Litopenaeus vannamei.
Acta Crystallogr D Struct Biol, 73, 2017
6JZS
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BU of 6jzs by Molmil
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-03
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
5G4L
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BU of 5g4l by Molmil
Phloroglucinol reductase from Clostridium sp. with bound NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
Authors:Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
5G6G
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BU of 5g6g by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((2-((Methylamino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5G4T
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BU of 5g4t by Molmil
The structure of a quasi-cyclic six k-turn duplex RNA species
Descriptor: HMKT-7
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2016-05-17
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:A Quasi-Cyclic RNA Nano-Scale Molecular Object Constructed Using Kink Turns.
Nanoscale, 8, 2016
5G6H
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BU of 5g6h by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
6K0V
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BU of 6k0v by Molmil
Catalytic domain of GH87 alpha-1,3-glucanase D1069A in complex with tetrasaccharides
Descriptor: Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ...
Authors:Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
Deposit date:2019-05-07
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
7MQZ
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BU of 7mqz by Molmil
Cytochrome c oxidase assembly factor 7
Descriptor: Cytochrome c oxidase assembly factor 7
Authors:Maghool, S, Maher, M.J.
Deposit date:2021-05-07
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mitochondrial COA7 is a heme-binding protein with disulfide reductase activity, which acts in the early stages of complex IV assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
6DWN
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BU of 6dwn by Molmil
Structure of Human Cytochrome P450 1A1 with Erlotinib
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2018-06-26
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
6DTH
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BU of 6dth by Molmil
Crystal structure of Haemophilus influenzae OppA complex with RPPGFSPFR
Descriptor: ARG-PRO-PRO-GLY-PHE, Periplasmic oligopeptide-binding protein, SULFATE ION
Authors:Tanaka, K.J, Pinkett, H.W.
Deposit date:2018-06-16
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
5G26
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BU of 5g26 by Molmil
Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN
Authors:Zabara, A, Newman, J, Peat, T.S.
Deposit date:2016-04-07
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins.
Nanoscale, 9, 2017
5V03
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BU of 5v03 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: CALCIUM ION, Calmodulin, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
5G2Z
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BU of 5g2z by Molmil
Crystallographic structure of mutant W31A of thioredoxin from Litopenaeus vannamei
Descriptor: THIOREDOXIN
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2016-04-18
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Is dimerization a common feature in thioredoxins? The case of thioredoxin from Litopenaeus vannamei.
Acta Crystallogr D Struct Biol, 73, 2017
7MRJ
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BU of 7mrj by Molmil
Crystal structure of a novel ubiquitin-like TINCR
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A.
Deposit date:2021-05-07
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma.
Nat Commun, 14, 2023
5VAF
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BU of 5vaf by Molmil
Crystal structure of accessory secretion protein 1
Descriptor: Accessory Sec system protein Asp1
Authors:Chen, Y, Rapoport, T.A, Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5G6K
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BU of 5g6k by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Lewis, M.C, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
6DCL
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BU of 6dcl by Molmil
Crystal structure of UP1 bound to pri-miRNA-18a terminal loop
Descriptor: 1,2-ETHANEDIOL, Heterogeneous nuclear ribonucleoprotein A1, RNA (5'-R(*AP*GP*UP*AP*GP*AP*UP*UP*AP*GP*C)-3')
Authors:Kooshapur, H, Sattler, M.
Deposit date:2018-05-07
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1.
Nat Commun, 9, 2018
7MHR
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BU of 7mhr by Molmil
KcsA E71V closed gate with K+
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Rohaim, A, Li, J, Weingarth, M, Roux, B.
Deposit date:2021-04-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
7MHX
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BU of 7mhx by Molmil
KcsA E71V closed gate with Ba2+
Descriptor: BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ...
Authors:Rohaim, A, Li, J, Weingarth, M, Roux, B.
Deposit date:2021-04-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
5G6O
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BU of 5g6o by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with two molecules of 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin- 2- amine
Descriptor: 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
6K24
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BU of 6k24 by Molmil
Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6DD5
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BU of 6dd5 by Molmil
Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein
Descriptor: GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ...
Authors:Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M.
Deposit date:2018-05-09
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition.
Mol. Cell, 72, 2018
7MUB
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BU of 7mub by Molmil
KcsA Open gate E71V mutant in Potassium
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Rohaim, A, Li, J, Weingarth, M, Roux, B.
Deposit date:2021-05-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
7MK6
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BU of 7mk6 by Molmil
KcsA open gate E71V mutant with sodium
Descriptor: Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA
Authors:Rohaim, A, Li, J, Weingarth, M, Roux, B.
Deposit date:2021-04-21
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
5G6N
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BU of 5g6n by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016

224201

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