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6NAL
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BU of 6nal by Molmil
Crystal Structure of Gram Negative Toxin
Descriptor: IMIDAZOLE, TETRAETHYLENE GLYCOL, Thiol-activated cytolysin
Authors:Morton, C.J, Lawrence, S.A, Parker, M.W.
Deposit date:2018-12-05
Release date:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for a Transition State That Regulates Pore Formation in a Bacterial Toxin.
Mbio, 10, 2019
6E0H
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BU of 6e0h by Molmil
PDB: afTMEM16 reconstituted in nanodiscs in the presence of Ca2+
Descriptor: CALCIUM ION, Plasma membrane channel protein (Aqy1), putative
Authors:Falzone, M.E, Accardi, A.
Deposit date:2018-07-06
Release date:2019-02-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Elife, 8, 2019
6NAX
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BU of 6nax by Molmil
Olfactomedin domain of mouse myocilin
Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ...
Authors:Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L.
Deposit date:2018-12-06
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice.
Biochemistry, 58, 2019
8QR1
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BU of 8qr1 by Molmil
Cryo-EM structure of the human Tip60 complex
Descriptor: Actin, cytoplasmic 1, N-terminally processed, ...
Authors:Li, C, Smirnova, E, Schnitzler, C, Crucifix, C, Concordet, J.P, Brion, A, Poterszman, A, Schultz, P, Papai, G, Ben-Shem, A.
Deposit date:2023-10-06
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of human TIP60-C histone exchange and acetyltransferase complex
Nature, 2024
4XRS
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BU of 4xrs by Molmil
Heterodimeric complex of transcription factors MEIS1 and DLX3 on specific DNA
Descriptor: DNA (5'-D(P*AP*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*GP*AP*TP*AP*AP*TP*TP*GP*TP*T)-3'), ...
Authors:Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Morgunova, E, Taipale, J.
Deposit date:2015-01-21
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:DNA-dependent formation of transcription factor pairs alters their binding specificity.
Nature, 527, 2015
7UTL
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BU of 7utl by Molmil
ALTERNATIVE MODELING OF TROPOMYOSIN IN HUMAN CARDIAC THIN FILAMENT IN THE CALCIUM FREE STATE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Rynkiewicz, M.J, Pavadai, E, Lehman, W.
Deposit date:2022-04-27
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Protein-Protein Docking Reveals Dynamic Interactions of Tropomyosin on Actin Filaments.
Biophys J, 119, 2020
6NIZ
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BU of 6niz by Molmil
Atomic structure of a fluorescent Ag8 cluster templated by a multistranded DNA scaffold
Descriptor: DNA (5'-D(*AP*AP*CP*CP*CP*CP)-3'), SILVER ION
Authors:Lieberman, R.L, Huard, D.J.E.
Deposit date:2019-01-02
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Atomic Structure of a Fluorescent Ag8Cluster Templated by a Multistranded DNA Scaffold.
J.Am.Chem.Soc., 141, 2019
6Z1M
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BU of 6z1m by Molmil
Structure of an Ancestral glycosidase (family 1) bound to heme
Descriptor: 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-14
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
6DZZ
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BU of 6dzz by Molmil
Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation
Descriptor: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
Authors:Yang, D, Coleman, J.A, Gouaux, E.
Deposit date:2018-07-05
Release date:2019-04-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
7UMV
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BU of 7umv by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-07
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
4XX8
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BU of 4xx8 by Molmil
Crystal structure of Pro1 deletion mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-01-30
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
7FGM
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BU of 7fgm by Molmil
The complex crystals structure of the FAF1 UBL1_L-Hsp70 NBD with ADP and phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAS-associated factor 1, Heat shock 70 kDa protein 1A, ...
Authors:Kim, E.E, ParK, J.K, Shin, S.C.
Deposit date:2021-07-27
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
4XYB
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BU of 4xyb by Molmil
GRANULICELLA M. FORMATE DEHYDROGENASE (FDH) IN COMPLEX WITH NADP(+) AND NaN3
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ...
Authors:Cendron, L, Fogal, S, Beneventi, E, Bergantino, E.
Deposit date:2015-02-02
Release date:2015-07-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural basis for double cofactor specificity in a new formate dehydrogenase from the acidobacterium Granulicella mallensis MP5ACTX8.
Appl.Microbiol.Biotechnol., 99, 2015
6NV6
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BU of 6nv6 by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri with glutathione bound
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
Authors:Hilario, E, De Keyser, S, Fan, L.
Deposit date:2019-02-04
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
6PTT
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BU of 6ptt by Molmil
Soluble model of Arabidopsis thaliana CuA (Tt3LAt)
Descriptor: Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION
Authors:Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J.
Deposit date:2019-07-16
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
2EC0
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BU of 2ec0 by Molmil
RNA-dependent RNA polymerase of foot-and-mouth disease virus in complex with a template-primer RNA and ATP
Descriptor: 5'-R(*GP*GP*GP*CP*CP*CP*A)-3', 5'-R(P*AP*UP*GP*GP*GP*CP*CP*C)-3', MAGNESIUM ION, ...
Authors:Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N.
Deposit date:2007-02-09
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Sequential structures provide insights into the fidelity of RNA replication
Proc.Natl.Acad.Sci.Usa, 104, 2007
6NG0
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BU of 6ng0 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state.
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Authors:Johnson, E, McTigue, M, Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
1FUN
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BU of 1fun by Molmil
SUPEROXIDE DISMUTASE MUTANT WITH LYS 136 REPLACED BY GLU, CYS 6 REPLACED BY ALA AND CYS 111 REPLACED BY SER (K136E, C6A, C111S)
Descriptor: COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ...
Authors:Lo, T.P, Tainer, J.A, Getzoff, E.D.
Deposit date:1998-07-23
Release date:1999-07-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Computational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human Cu,Zn superoxide dismutase.
Proteins, 29, 1997
6NNF
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BU of 6nnf by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to VRC01 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.5 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2019-01-14
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.762 Å)
Cite:Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
4XX7
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BU of 4xx7 by Molmil
Crystal structure of M2A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-01-29
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
6Q8T
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BU of 6q8t by Molmil
Cryo structure of HEWL at 81 kGy
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C
Authors:de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M.
Deposit date:2018-12-16
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74008667 Å)
Cite:Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NJ0
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BU of 6nj0 by Molmil
Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS
Descriptor: 2-succinylbenzoate--CoA ligase, 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
Authors:Si, Y, Yin, Y, French, J.B, Tonge, P.J.
Deposit date:2019-01-02
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.
Biochemistry, 58, 2019
7LJC
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BU of 7ljc by Molmil
Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein
Descriptor: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ...
Authors:Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
6Z68
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BU of 6z68 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021

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