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3OP0
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BU of 3op0 by Molmil
Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide
Descriptor: Epidermal growth factor receptor, NICKEL (II) ION, SODIUM ION, ...
Authors:Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide
To be Published
5MAD
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BU of 5mad by Molmil
GFP-binding DARPin 3G61
Descriptor: 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5M95
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BU of 5m95 by Molmil
STAPHYLOCOCCUS CAPITIS DIVALENT METAL ION TRANSPORTER (DMT) IN COMPLEX WITH MANGANESE
Descriptor: CAMELID ANTIBODY FRAGMENT, NANOBODY, Divalent metal cation transporter MntH, ...
Authors:Ehrnstorfer, I.A, Geertsma, E.R, Pardon, E, Steyaert, J, Dutzler, R.
Deposit date:2016-10-31
Release date:2016-11-30
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure Of A Slc11 (Nramp) Transporter Reveals The Basis For Transition-Metal Ion Transport.
Nat.Struct.Mol.Biol., 21, 2014
5MA9
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BU of 5ma9 by Molmil
GFP-binding DARPin fusion gc_R11
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein, R11
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
4AQP
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BU of 4aqp by Molmil
The structure of the AXH domain of ataxin-1.
Descriptor: ATAXIN-1, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Rees, M, Chen, Y.W, de Chiara, C, Pastore, A.
Deposit date:2012-04-19
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold
Biophys.J., 104, 2013
6J61
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BU of 6j61 by Molmil
Crystal Structure of Thymidylate Synthase, Thy1, from Thermus thermophilus having an Extra C Terminal Domain
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, PHOSPHATE ION
Authors:Ogawa, A, Sampei, G, Kawai, G.
Deposit date:2019-01-12
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the flavin-dependent thymidylate synthase Thy1 from Thermus thermophilus with an extra C-terminal domain.
Acta Crystallogr.,Sect.F, 75, 2019
4CBI
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BU of 4cbi by Molmil
Pestivirus NS3 helicase
Descriptor: SERINE PROTEASE NS3
Authors:Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
Deposit date:2013-10-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
Descriptor: Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-04
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
3OXW
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BU of 3oxw by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mittal, S, Bandaranayake, R.M, Schiffer, C.A.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
5NF6
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BU of 5nf6 by Molmil
Structure of GluK3 ligand-binding domain (S1S2) in complex with CIP-AS at 2.55 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
5NEB
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BU of 5neb by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with LM-12b at 2.05 A resolution
Descriptor: (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Moellerud, S, Frydenvang, K, Laulumaa, S, Kastrup, J.S.
Deposit date:2017-03-10
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
5NF5
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BU of 5nf5 by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with CIP-AS at 2.85 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
6HK4
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BU of 6hk4 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C22
Descriptor: 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ...
Authors:Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
Deposit date:2018-09-05
Release date:2019-07-17
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6HIT
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BU of 6hit by Molmil
The crystal structure of haemoglobin from Atlantic cod
Descriptor: Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M.
Deposit date:2018-08-30
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of haemoglobin from Atlantic cod.
Acta Crystallogr.,Sect.F, 75, 2019
3PKM
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BU of 3pkm by Molmil
Crystal structure of Cas6 with its substrate RNA
Descriptor: 5'-R(*AP*UP*UP*AP*CP*AP*AP*UP*AP*A)-3', 5'-R(P*UP*UP*AP*CP*AP*AP*UP*AP*A)-3', CRISPR-associated endoribonuclease Cas6
Authors:Wang, R, Preamplume, G, Li, H.
Deposit date:2010-11-11
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Interaction of the Cas6 Riboendonuclease with CRISPR RNAs: Recognition and Cleavage.
Structure, 19, 2011
5MA6
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BU of 5ma6 by Molmil
GFP-binding DARPin 3G124nc
Descriptor: 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ...
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MAK
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BU of 5mak by Molmil
GFP-binding DARPin fusion gc_R7
Descriptor: CITRIC ACID, Green fluorescent protein, R7
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
6HK3
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BU of 6hk3 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C44
Descriptor: 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
Deposit date:2018-09-05
Release date:2019-07-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6HK7
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BU of 6hk7 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C50
Descriptor: 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
Deposit date:2018-09-05
Release date:2019-07-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
3OZX
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BU of 3ozx by Molmil
Crystal structure of ABCE1 of Sulfolubus solfataricus (-FeS domain)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Barthelme, D, Tampe, R.
Deposit date:2010-09-27
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ribosome Recycling in Archaea A Mechanistic Link between FeS Cluster Biosynthesis and Conformational Switch of Twin-ATPase ABCE1
To be Published
5O4F
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BU of 5o4f by Molmil
Structure of GluK3 ligand-binding domain (S1S2) in complex with the agonist LM-12b at 2.10 A resolution
Descriptor: (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Moellerud, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2017-05-29
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
8V7F
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BU of 8v7f by Molmil
Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T*())-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2023-12-04
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+
To Be Published
5MA3
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BU of 5ma3 by Molmil
GFP-binding DARPin fusion gc_R11
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein, R11
Authors:Hansen, S, Stueber, J, Ernst, P, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MA4
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BU of 5ma4 by Molmil
GFP-binding DARPin fusion gc_K7
Descriptor: Green fluorescent protein, K7
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017

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