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3ZWI
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BU of 3zwi by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A:UNRESTRAINT REFINEMENT
Descriptor: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:Antonyuk, S, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-07-31
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas-Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
4R7X
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BU of 4r7x by Molmil
Crystal structure of N-lobe of human ARRDC3(1-180)
Descriptor: Arrestin domain-containing protein 3, PHOSPHATE ION
Authors:Qi, S, Hurley, J.
Deposit date:2014-08-28
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into beta 2-adrenergic receptor binding from structures of the N-terminal lobe of ARRDC3.
Protein Sci., 23, 2014
4TVG
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BU of 4tvg by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap
Descriptor: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ...
Authors:Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
Deposit date:2014-06-26
Release date:2014-09-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
3GVP
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BU of 3gvp by Molmil
Human SAHH-like domain of human adenosylhomocysteinase 3
Descriptor: Adenosylhomocysteinase 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Siponen, M.I, Wisniewska, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schueler, H.
Deposit date:2009-03-31
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human S-adenosyl homocysteine hydrolase-like 2 protein crystal structure
To be Published
3GG6
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BU of 3gg6 by Molmil
Crystal structure of the NUDIX domain of human NUDT18
Descriptor: Nucleoside diphosphate-linked moiety X motif 18
Authors:Tresaugues, L, Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the NUDIX domain of human NUDT18
To be Published
3ZQV
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BU of 3zqv by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-12
Release date:2011-10-05
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
4TVH
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BU of 4tvh by Molmil
HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap
Descriptor: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
Authors:Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
Deposit date:2014-06-26
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
3H95
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BU of 3h95 by Molmil
Crystal structure of the NUDIX domain of NUDT6
Descriptor: CITRATE ANION, GLYCEROL, Nucleoside diphosphate-linked moiety X motif 6
Authors:Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the NUDIX domain of NUDT6
To be Published
3DH1
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BU of 3dh1 by Molmil
Crystal structure of human tRNA-specific adenosine-34 deaminase subunit ADAT2
Descriptor: ZINC ION, tRNA-specific adenosine deaminase 2
Authors:Welin, M, Tresaugues, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, van der Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-06-16
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human tRNA-specific adenosine-34 deaminase subunit ADAT2.
To be Published
3EC8
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BU of 3ec8 by Molmil
The crystal structure of the RA domain of FLJ10324 (RADIL)
Descriptor: CHLORIDE ION, GLYCEROL, LEAD (II) ION, ...
Authors:Wisniewska, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2008-08-29
Release date:2008-09-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the RA domain of FLJ10324 (RADIL)
to be published
5AP9
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BU of 5ap9 by Molmil
Controlled lid-opening in Thermomyces lanuginosus lipase - a switch for activity and binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Skjold-Joergensen, J, Vind, J, Moroz, O.V, Blagova, E.V, Bhatia, V.K, Svendsen, A, Wilson, K.S, Bjerrum, M.J.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Controlled lid-opening in Thermomyces lanuginosus lipase- An engineered switch for studying lipase function.
Biochim. Biophys. Acta, 1865, 2017
1F09
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BU of 1f09 by Molmil
CRYSTAL STRUCTURE OF THE GREEN FLUORESCENT PROTEIN (GFP) VARIANT YFP-H148Q WITH TWO BOUND IODIDES
Descriptor: GREEN FLUORESCENT PROTEIN, IODIDE ION
Authors:Wachter, R.M, Yarbrough, D, Kallio, K, Remington, S.J.
Deposit date:2000-05-15
Release date:2000-11-17
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystallographic and energetic analysis of binding of selected anions to the yellow variants of green fluorescent protein.
J.Mol.Biol., 301, 2000
7T4D
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BU of 7t4d by Molmil
Pore structure of pore-forming toxin Epx4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Epx4
Authors:Xiong, X.Z, Dong, M, Yang, P, Abraham, J.
Deposit date:2021-12-09
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
1F0B
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BU of 1f0b by Molmil
CRYSTAL STRUCTURE OF THE GREEN FLUORESCENT PROTEIN (GFP) VARIANT YFP-H148Q
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:Wachter, R.M, Yarbrough, D, Kallio, K, Remington, S.J.
Deposit date:2000-05-15
Release date:2000-11-17
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic and energetic analysis of binding of selected anions to the yellow variants of green fluorescent protein.
J.Mol.Biol., 301, 2000
3EWS
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BU of 3ews by Molmil
Human DEAD-box RNA-helicase DDX19 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX19B
Authors:Lehtio, l, Karlberg, t, Andersson, j, Arrowsmith, c.h, Berglund, h, Bountra, c, Collins, r, Dahlgren, l.g, Edwards, a.m, Flodin, s, Flores, a, Graslund, s, Hammarstrom, m, Johansson, a, Johansson, i, Kotenyova, t, Moche, m, Nilsson, m.e, Nordlund, p, Nyman, t, Olesen, k, Persson, c, Sagemark, j, Thorsell, a.g, Tresaugues, l, Van den berg, s, Weigelt, j, Welin, m, Wikstrom, m, Wisniewska, m, Schueler, h, Structural Genomics Consortium (SGC)
Deposit date:2008-10-16
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The DEXD/H-box RNA Helicase DDX19 Is Regulated by an {alpha}-Helical Switch.
J.Biol.Chem., 284, 2009
4XK8
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BU of 4xk8 by Molmil
Crystal structure of plant photosystem I-LHCI super-complex at 2.8 angstrom resolution
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Suga, M, Qin, X, Kuang, T, Shen, J.R.
Deposit date:2015-01-10
Release date:2015-06-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for energy transfer pathways in the plant PSI-LHCI supercomplex
Science, 348, 2015
8TN1
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BU of 8tn1 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
Descriptor: De novo designed 4 helix bundles, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
3FE1
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BU of 3fe1 by Molmil
Crystal structure of the human 70kDa heat shock protein 6 (Hsp70B') ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 6, ...
Authors:Wisniewska, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-27
Release date:2008-12-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
5CBX
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BU of 5cbx by Molmil
AncGR DNA Binding Domain - (+)GRE Complex
Descriptor: AncGR DNA Binding Domain, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), ...
Authors:Hudson, W.H, Ortlund, E.A.
Deposit date:2015-07-01
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CC1
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BU of 5cc1 by Molmil
S425G Glucocorticoid receptor DNA binding domain - (+)GRE complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Weikum, E.A, Ortlund, E.A.
Deposit date:2015-07-01
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
2JRQ
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BU of 2jrq by Molmil
NMR solution structure of the anticodon of E. coli TRNA-VAL3 with 1 modification (cmo5U34)
Descriptor: 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)P*AP*CP*AP*AP*GP*GP*AP*GP*G)-3'
Authors:Vendeix, F.A.P, Dziergowska, A, Gustilo, E.M, Graham, W.D, Sproat, B, Malkiewicz, A, Agris, P.F.
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Wobble-Position Modifications Pre-structure tRNA's Anticodon for Ribosome-Mediated Codon Binding
To be Published

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