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7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Descriptor: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
2FVZ
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Human Inositol Monophosphosphatase 2
Descriptor: Inositol monophosphatase 2
Authors:Ogg, D, Hallberg, B.M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Structural Genomics Consortium (SGC)
Deposit date:2006-01-31
Release date:2006-02-21
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Human Inositol Monophosphatase 2
To be published
1EUW
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BU of 1euw by Molmil
ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE
Descriptor: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, ETHYL MERCURY ION, GLYCEROL
Authors:Gonzalez, A, Cedergren, E, Larsson, G, Persson, R.
Deposit date:2000-04-17
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic resolution structure of Escherichia coli dUTPase determined ab initio.
Acta Crystallogr.,Sect.D, 57, 2001
1MQV
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BU of 1mqv by Molmil
Crystal Structure of the Q1A/F32W/W72F mutant of Rhodopseudomonas palustris cytochrome c' (prime) expressed in E. coli
Descriptor: CYTOCHROME C', HEME C
Authors:Lee, J.C, Engman, K.C, Tezcan, F.A, Gray, H.B, Winkler, J.R.
Deposit date:2002-09-17
Release date:2002-11-20
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Features of Cytochrome c' Folding Intermediates Revealed by Fluorescence Energy-Transfer Kinetics
Proc.Natl.Acad.Sci.USA, 99, 2002
6ZHW
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BU of 6zhw by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Branden, G, Neutze, R.
Deposit date:2020-06-23
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI6
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BU of 6zi6 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 20 ps structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
1G7D
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BU of 1g7d by Molmil
NMR STRUCTURE OF ERP29 C-DOMAIN
Descriptor: ENDOPLASMIC RETICULUM PROTEIN ERP29
Authors:Liepinsh, E, Mkrtchian, S, Barishev, M, Sharipo, A, Ingelman-Sundberg, M, Otting, G.
Deposit date:2000-11-10
Release date:2000-11-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Thioredoxin fold as homodimerization module in the putative chaperone ERp29: NMR structures of the domains and experimental model of the 51 kDa dimer.
Structure, 9, 2001
6ZI4
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BU of 6zi4 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZID
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BU of 6zid by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI5
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BU of 6zi5 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
5VA3
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BU of 5va3 by Molmil
Cryo-EM structure of the human ether-a-go-go related K+ channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Wang, W.W, MacKinnon, R.
Deposit date:2017-03-24
Release date:2017-05-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM Structure of the Open Human Ether-a-go-go-Related K(+) Channel hERG.
Cell, 169, 2017
6ZI9
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BU of 6zi9 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
5VA1
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BU of 5va1 by Molmil
Cryo-EM structure of the human ether-a-go-go related K+ channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Wang, W.W, MacKinnon, R.
Deposit date:2017-03-24
Release date:2017-05-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM Structure of the Open Human Ether-a-go-go-Related K(+) Channel hERG.
Cell, 169, 2017
5HE8
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BU of 5he8 by Molmil
Bacterial initiation protein
Descriptor: Helicase loader, SULFATE ION
Authors:Hood, I.V, Berger, J.M.
Deposit date:2016-01-05
Release date:2016-06-08
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bacterial initiation protein
To Be Published
5VA2
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BU of 5va2 by Molmil
Cryo-EM structure of the human ether-a-go-go related K+ channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Wang, W.W, MacKinnon, R.
Deposit date:2017-03-24
Release date:2017-05-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM Structure of the Open Human Ether-a-go-go-Related K(+) Channel hERG.
Cell, 169, 2017
4ZHX
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BU of 4zhx by Molmil
Novel binding site for allosteric activation of AMPK
Descriptor: (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ...
Authors:Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E.
Deposit date:2015-04-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
3LS8
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BU of 3ls8 by Molmil
Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
Descriptor: 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-02-12
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
Deposit date:2014-09-02
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
1EGR
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BU of 1egr by Molmil
SEQUENCE-SPECIFIC 1H N.M.R. ASSIGNMENTS AND DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF REDUCED ESCHERICHIA COLI GLUTAREDOXIN
Descriptor: GLUTAREDOXIN
Authors:Sodano, P, Xia, T.-H, Bushweller, J.H, Bjornberg, O, Holmgren, A, Billeter, M, Wuthrich, K.
Deposit date:1991-10-08
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-specific 1H n.m.r. assignments and determination of the three-dimensional structure of reduced Escherichia coli glutaredoxin.
J.Mol.Biol., 221, 1991
1E5U
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BU of 1e5u by Molmil
NMR Representative Structure of Intimin-190 (Int190) from Enteropathogenic E. coli
Descriptor: INTIMIN
Authors:Prasannan, S, Matthews, S.J, Batchelor, M, Daniell, S, Reece, S, Frankel, G, Dougan, G, Connerton, I, Bloomberg, G.
Deposit date:2000-08-02
Release date:2000-08-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural Basis for Recognition of the Translocated Intimin Receptor (Tir) by Intimin from Enteropathogenic E. Coli
Embo J., 19, 2000
3MCF
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BU of 3mcf by Molmil
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
Descriptor: CITRATE ANION, Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, GLYCEROL
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-03-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
To be Published
1IIB
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BU of 1iib by Molmil
CRYSTAL STRUCTURE OF IIBCELLOBIOSE FROM ESCHERICHIA COLI
Descriptor: ENZYME IIB OF THE CELLOBIOSE-SPECIFIC PHOSPHOTRANSFERASE SYSTEM
Authors:Van Montfort, R.L.M, Pijning, T, Kalk, K.H, Reizer, J, Saier, M.H, Thunnissen, M.M.G.M, Robillard, G.T, Dijkstra, B.W.
Deposit date:1996-12-23
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of an energy-coupling protein from bacteria, IIBcellobiose, reveals similarity to eukaryotic protein tyrosine phosphatases.
Structure, 5, 1997
5M8I
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BU of 5m8i by Molmil
Solution structure of CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA
Descriptor: CUGBP Elav-like family member 2, RNA (5'-R(*UP*UP*UP*AP*A)-3')
Authors:Diarra dit Konte, N, Damberger, F.F, Allain, F.H.T.
Deposit date:2016-10-28
Release date:2017-10-11
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination.
Nat Commun, 8, 2017
5ZNL
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BU of 5znl by Molmil
Crystal structure of PDE10A catalytic domain complexed with LHB-6
Descriptor: MAGNESIUM ION, N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine, ZINC ION, ...
Authors:Li, Z, Huang, Y, Zhan, C.G, Luo, H.B.
Deposit date:2018-04-09
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10.
J. Med. Chem., 62, 2019

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