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8EHW
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BU of 8ehw by Molmil
cryo-EM structure of TMEM63A in nanodisc
Descriptor: CSC1-like protein 1
Authors:Zheng, W, Fu, T.M, Holt, J.R.
Deposit date:2022-09-14
Release date:2023-08-23
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:TMEM63 proteins function as monomeric high-threshold mechanosensitive ion channels.
Neuron, 111, 2023
6WAP
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BU of 6wap by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
Descriptor: HIV-1 capsid protein
Authors:Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
1LE8
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BU of 1le8 by Molmil
Crystal Structure of the MATa1/MATalpha2-3A Heterodimer Bound to DNA Complex
Descriptor: 5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*CP*AP*TP*CP*A)-3', 5'-D(*TP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*AP*CP*AP*TP*G)-3', MATING-TYPE PROTEIN A-1, ...
Authors:Ke, A, Mathias, J.R, Vershon, A.K, Wolberger, C.
Deposit date:2002-04-09
Release date:2002-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Thermodynamic Characterization of the DNA Binding Properties of a Triple Alanine Mutant of MATalpha2
Structure, 10, 2002
6WE8
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BU of 6we8 by Molmil
YTH domain of human YTHDC1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
5JR1
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BU of 5jr1 by Molmil
Crystal structure of 10E8 gHV-matureL antigen-binding fragment.
Descriptor: 10E8 heavy chain, 10E8 mature light chain, ZINC ION
Authors:Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016
6WJS
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BU of 6wjs by Molmil
Apo structure of the FMN riboswitch aptamer domain in the presence of phosphate
Descriptor: PHOSPHATE ION, RNA (112-MER)
Authors:Wilt, H.M, Wang, Y.-X, Stagno, J.R.
Deposit date:2020-04-14
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:FMN riboswitch aptamer symmetry facilitates conformational switching through mutually exclusive coaxial stacking configurations.
J Struct Biol X, 4, 2020
5K4L
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BU of 5k4l by Molmil
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
Authors:Kiefer, J.R, Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6X1J
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BU of 6x1j by Molmil
The homing endonuclease I-WcaI bound to its DNA recognition sequence
Descriptor: DNA (25-mer), POTASSIUM ION, Probable intron-encoded endonuclease 1
Authors:Nawimanage, R, Lohman, J.R, Gimble, F.S.
Deposit date:2020-05-19
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Structure-Function Studies of Two Yeast Homing Endonucleases that Evolved to Cleave Identical Targets with Dissimilar Rates and Specificities.
J.Mol.Biol., 434, 2022
1KWP
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BU of 1kwp by Molmil
Crystal Structure of MAPKAP2
Descriptor: MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION
Authors:Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A.
Deposit date:2002-01-30
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That Couples Kinase Activation with Nuclear Export
J.Biol.Chem., 277, 2002
5KKP
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BU of 5kkp by Molmil
Crystal Structure of Human Pseudouridylate Synthase 7
Descriptor: 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-06-22
Release date:2016-08-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Human Pseudouridylate Synthase 7
to be published
5KUH
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BU of 5kuh by Molmil
GluK2EM with LY466195
Descriptor: (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2
Authors:Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (11.6 Å)
Cite:Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
5KZ5
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BU of 5kz5 by Molmil
Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold
Descriptor: Cysteine desulfurase, mitochondrial, Frataxin, ...
Authors:Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
Deposit date:2016-07-22
Release date:2016-08-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (14.3 Å)
Cite:Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery.
J.Biol.Chem., 291, 2016
2AZH
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BU of 2azh by Molmil
Solution structure of iron-sulfur cluster assembly protein SUFU from Bacillus subtilis, with zinc bound at the active site. Northeast Structural Genomics Consortium target SR17
Descriptor: SufU, ZINC ION
Authors:Kornhaber, G.J, Swapna, G.V.T, Ramelot, T.A, Cort, J.R, Aramini, J.M, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-09-10
Release date:2005-09-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of Zn-Ligated Fe-S Cluster Assembly Scaffold Protein SufU From Bacillus subtilis
To be published
6X7O
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BU of 6x7o by Molmil
LnmK in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, ...
Authors:Stunkard, L.M, Kick, B.J, Lohman, J.R.
Deposit date:2020-05-30
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
6X6P
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BU of 6x6p by Molmil
Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C.
Deposit date:2020-05-28
Release date:2020-06-10
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
6X7N
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BU of 6x7n by Molmil
LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA
Descriptor: Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
Authors:Stunkard, L.M, Kick, B.J, Lohman, J.R.
Deposit date:2020-05-30
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
1LB5
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BU of 1lb5 by Molmil
TRAF6-RANK Complex
Descriptor: TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B
Authors:Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
Deposit date:2002-04-02
Release date:2002-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
5L12
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BU of 5l12 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
Authors:Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R.
Deposit date:2016-07-28
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.716 Å)
Cite:Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
1LB4
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BU of 1lb4 by Molmil
TRAF6 apo structure
Descriptor: TNF receptor-associated factor 6
Authors:Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
Deposit date:2002-04-02
Release date:2002-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
2B02
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BU of 2b02 by Molmil
Crystal Structure of ARNT PAS-B Domain
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Lee, J, Botuyan, M.V, Nomine, Y, Ohh, M, Thompson, J.R, Mer, G.
Deposit date:2005-09-12
Release date:2006-10-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Binding Properties of ARNT PAS-B Heterodimerization Domain
To be Published
2AVD
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BU of 2avd by Molmil
Crystal Structure of Human Catechol-O-methyltransferase domain containing 1
Descriptor: Catechol-O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-08-29
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Human Catechol-O-methyltransferase domain containing 1 in complex with S-adenosyl-L-methionine
To be Published
6XE4
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BU of 6xe4 by Molmil
BTK Fluorocyclopropyl amide inhibitor, Compound 25
Descriptor: (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
Authors:Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C.
Deposit date:2020-06-11
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
6X7M
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BU of 6x7m by Molmil
LnmK in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
Descriptor: Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Stunkard, L.M, Kick, B.J, Lohman, J.R.
Deposit date:2020-05-30
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
2ESL
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BU of 2esl by Molmil
Human Cyclophilin C in Complex with Cyclosporin A
Descriptor: CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ...
Authors:Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-10-26
Release date:2005-12-13
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
8FB4
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BU of 8fb4 by Molmil
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023

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