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4DRI
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BU of 4dri by Molmil
Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, Serine/threonine-protein kinase mTOR
Authors:Maerz, A.M, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Large FK506-Binding Proteins Shape the Pharmacology of Rapamycin.
Mol.Cell.Biol., 33, 2013
4DYT
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BU of 4dyt by Molmil
Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V)
Descriptor: Nucleocapsid protein
Authors:Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:To be determined
To be Published
4DRP
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BU of 4drp by Molmil
Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
5UN6
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BU of 5un6 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C, Jude, K.M.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
5V0V
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BU of 5v0v by Molmil
Crystal structure of Equine Serum Albumin complex with etodolac
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Steen, E.H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
5V24
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BU of 5v24 by Molmil
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
Descriptor: 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R, Lawson, J.D.
Deposit date:2017-03-02
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg. Med. Chem. Lett., 27, 2017
8WAU
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BU of 8wau by Molmil
De novo transcribing complex 11 (TC11), the early elongation complex with Pol II positioned 11nt downstream of TSS
Descriptor: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
Authors:Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
Deposit date:2023-09-08
Release date:2023-12-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structural visualization of transcription initiation in action.
Science, 382, 2023
8WE7
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BU of 8we7 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WAR
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BU of 8war by Molmil
Structure of transcribing complex 8 (TC8), the initially transcribing complex with Pol II positioned 8nt downstream of TSS.
Descriptor: Alpha-amanitin, CDK-activating kinase assembly factor MAT1, DNA-directed RNA polymerase II subunit E, ...
Authors:Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
Deposit date:2023-09-08
Release date:2023-12-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Structural visualization of transcription initiation in action.
Science, 382, 2023
8W7S
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BU of 8w7s by Molmil
Yeast replisome in state IV
Descriptor: Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D.
Deposit date:2023-08-31
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (7.39 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
5VCA
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BU of 5vca by Molmil
VCP like ATPase from T. acidophilum (VAT)-Substrate bound conformation
Descriptor: VCP-like ATPase
Authors:Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L.
Deposit date:2017-03-31
Release date:2017-04-26
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
8W6K
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BU of 8w6k by Molmil
in situ room temperature Laue crystallography
Descriptor: Lysozyme C
Authors:Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y.
Deposit date:2023-08-29
Release date:2024-01-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:BL03HB: a Laue microdiffraction beamline for both protein crystallography and materials science at SSRF
Nucl.Sci.Tech., 35, 2024
3OWI
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BU of 3owi by Molmil
Crystal structure of the glycine riboswitch bound to glycine
Descriptor: Domain II of glycine riboswitch, GLYCINE, MAGNESIUM ION
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-19
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
3OXD
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BU of 3oxd by Molmil
Crystal structure of glycine riboswitch with two mutations
Descriptor: MAGNESIUM ION, domain II of glycine riboswitch
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-21
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
3SQ2
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BU of 3sq2 by Molmil
RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (AT rich sequence)
Descriptor: 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
5W0P
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BU of 5w0p by Molmil
Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin
Authors:Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E.
Deposit date:2017-05-31
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors.
Cell, 170, 2017
5W34
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BU of 5w34 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with double-stranded DNA GACCGGAAGTGG
Descriptor: DNA oligomer 5'-CCACTTCCGGTC, DNA oligomer 5'-GACCGGAAGTGG, DNA primase
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2017-06-07
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
3SUO
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BU of 3suo by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (GC rich sequence)
Descriptor: 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', CALCIUM ION, ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
5VYS
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BU of 5vys by Molmil
Crystal structure of the WbkC N-formyltransferase (C47S variant) from Brucella melitensis
Descriptor: 1,2-ETHANEDIOL, GUANOSINE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
Descriptor: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8WLS
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BU of 8wls by Molmil
Bcl-xL in complex with HBx BH3 delta C peptide
Descriptor: Bcl-2-like protein 1, Protein X
Authors:Kobayashi, N, Nagata, T, Kusunoki, H.
Deposit date:2023-10-01
Release date:2024-03-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Interaction between the C-Terminal-Deleted BH3-like Motif Peptide of Hepatitis B Virus X Protein and Bcl-x L.
Biochemistry, 63, 2024
8WR2
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BU of 8wr2 by Molmil
Crystal Structure of Human Pyridoxal Kinase with bound Luteolin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ...
Authors:Fan, J, Zhu, Y.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
5W3D
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BU of 5w3d by Molmil
The structure of kinesin-14 wild-type Ncd-ADP dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational
Authors:Park, H.W, Ma, Z, Chacko, J, Jiang, S.M, Robinson, R.C, Endow, S.A.
Deposit date:2017-06-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
3OWZ
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BU of 3owz by Molmil
Crystal structure of glycine riboswitch, soaked in Iridium
Descriptor: Domain II of glycine riboswitch, GLYCINE, IRIDIUM HEXAMMINE ION, ...
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-20
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.949 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010

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