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3A5M
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BU of 3a5m by Molmil
Crystal Structure of a Dictyostelium P109I Mg2+-Actin in Complex with Human Gelsolin Segment 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Gelsolin, ...
Authors:Murakami, K, Yasunaga, T, Noguchi, T.Q, Uyeda, T.Q, Wakabayashi, T.
Deposit date:2009-08-09
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for actin assembly, activation of ATP hydrolysis, and delayed phosphate release
Cell(Cambridge,Mass.), 143, 2010
7KCU
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BU of 7kcu by Molmil
Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B
Descriptor: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.
Deposit date:2020-10-07
Release date:2021-10-13
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
8TYN
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BU of 8tyn by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state (tetramer model)
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8TPL
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BU of 8tpl by Molmil
ATP-2 state of Bcs1 (unsymmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-08-04
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
5C6B
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BU of 5c6b by Molmil
Crystal Structure of Prefusion-stabilized RSV F variant SC-TM
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Fusion glycoprotein F0,Fibritin, ...
Authors:McLellan, J.S, Langedijk, J.P.M.
Deposit date:2015-06-22
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A highly stable prefusion RSV F vaccine derived from structural analysis of the fusion mechanism.
Nat Commun, 6, 2015
8T7U
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BU of 8t7u by Molmil
ADP-bound Bcs1 (unsymmetrized)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-06-21
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
7Q46
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BU of 7q46 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of pericentriolar material 1 protein
Descriptor: CITRIC ACID, E3 ubiquitin-protein ligase HERC2, Pericentriolar material 1 protein
Authors:Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
Deposit date:2021-10-29
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46002531 Å)
Cite:Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of pericentriolar material 1 protein
To Be Published
3A5W
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BU of 3a5w by Molmil
Peroxiredoxin (wild type) from Aeropyrum pernix K1 (reduced form)
Descriptor: Probable peroxiredoxin
Authors:Nakamura, T, Kado, Y, Yamaguchi, T, Matsumura, H, Ishikawa, K, Inoue, T.
Deposit date:2009-08-12
Release date:2009-10-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide
J.Biochem., 147, 2010
8T5U
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BU of 8t5u by Molmil
ATP-1 state of Bcs1 (C7 symmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-06-14
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
2ZX8
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BU of 2zx8 by Molmil
alpha-L-fucosidase complexed with inhibitor, F10-2C-O
Descriptor: Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-19
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
8TI0
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BU of 8ti0 by Molmil
ATP-1 state of Bcs1 (unsymmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-07-18
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
7Q43
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BU of 7q43 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of dedicator of cytokinesis protein 10
Descriptor: CITRIC ACID, Dedicator of cytokinesis protein 10 peptide, E3 ubiquitin-protein ligase HERC2
Authors:Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
Deposit date:2021-10-29
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.40002346 Å)
Cite:Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of dedicator of cytokinesis protein 10
To Be Published
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
5EY6
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BU of 5ey6 by Molmil
CRYSTAL STRUCTURE OF GLUTATHIONE TRANSFERASE F2 FROM POPULUS TRICHOCARPA
Descriptor: Phi class glutathione transferase GSTF2
Authors:Didierjean, C, Rouhier, N, Pegeot, H, Gense, F.
Deposit date:2015-11-24
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural plasticity among glutathione transferase Phi members: natural combination of catalytic residues confers dual biochemical activities.
FEBS J., 284, 2017
5C7H
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BU of 5c7h by Molmil
Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH
Descriptor: Aldo-keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Seidel, R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-06-24
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH
to be published
8TP1
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BU of 8tp1 by Molmil
ATP-2 state of Bcs1 (C7 symmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-08-04
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
2RQ6
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BU of 2rq6 by Molmil
Solution structure of the epsilon subunit of the F1-atpase from thermosynechococcus elongatus BP-1
Descriptor: ATP synthase epsilon chain
Authors:Yagi, H, Konno, H, Murakami-Fuse, T, Oroguchi, H, Akutsu, T, Ikeguchi, M, Hisabori, T.
Deposit date:2009-03-03
Release date:2010-01-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and functional analysis of the intrinsic inhibitor subunit epsilon of F1-ATPase from photosynthetic organisms.
Biochem.J., 425, 2010
7K1R
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BU of 7k1r by Molmil
X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
Descriptor: Beta xylosidase GH43, CALCIUM ION, GLYCEROL
Authors:Briganti, L, Capetti, C.C.M, Polikarpov, I.
Deposit date:2020-09-08
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
To Be Published
7K57
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BU of 7k57 by Molmil
Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
Deposit date:2020-09-16
Release date:2021-10-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
5EYO
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BU of 5eyo by Molmil
The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA
Descriptor: DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max
Authors:Wang, D, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2015-11-25
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma.
Nucleic Acids Res., 45, 2017
2DO7
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BU of 2do7 by Molmil
Solution structure of the winged helix-turn-helix motif of human CUL-4B
Descriptor: Cullin-4B
Authors:Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-27
Release date:2007-04-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the winged helix-turn-helix motif of human CUL-4B
To be Published
1NNY
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BU of 1nny by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy
Descriptor: 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
Deposit date:2003-01-14
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
3F17
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BU of 3f17 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
8TYM
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BU of 8tym by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024

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