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4YUG
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BU of 4yug by Molmil
Multiconformer synchrotron model of CypA at 100 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUL
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BU of 4yul by Molmil
Multiconformer synchrotron model of CypA at 280 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
6O1N
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BU of 6o1n by Molmil
Cryo-EM structure of TRPV5 (1-660) in nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 5
Authors:Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
Deposit date:2019-02-21
Release date:2019-04-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LW6
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BU of 5lw6 by Molmil
Crystal structure of a Se-Met substituted Dictyostelium discoideum ADP-ribose binding macrodomain (residues 342-563) of DDB_G0293866
Descriptor: DDB_G0293866
Authors:Leys, D, Barkauskaite, E, Pinero, B.B, Ahel, I.
Deposit date:2016-09-15
Release date:2016-09-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of ADP-ribosylation in regulating DNA interstrand crosslink repair.
J.Cell.Sci., 129, 2016
6O2W
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BU of 6o2w by Molmil
Crystal structure of the SARAF luminal domain Cys-lock mutant dimer
Descriptor: GLYCEROL, Store-operated calcium entry-associated regulatory factor
Authors:Kimberlin, C.R, Minor, D.L.
Deposit date:2019-02-24
Release date:2019-05-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
4LT7
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BU of 4lt7 by Molmil
Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium
Descriptor: CALCIUM ION, Rabphilin-3A
Authors:Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J.
Deposit date:2013-07-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
7CBC
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BU of 7cbc by Molmil
Crystal structure of a de novo designed switch protein caging a hemagglutinin binder
Descriptor: De novo designed switch protein caging a hemagglutinin binder (sCageHA267_1S), ETHANOL
Authors:Lee, H, Oh, B.-H, Baker, D.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo design of modular and tunable protein biosensors.
Nature, 591, 2021
2K3B
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BU of 2k3b by Molmil
Seeing the Invisible: Structures of Excited Protein States by Relaxation Dispersion NMR
Descriptor: Actin-binding protein
Authors:Vallurupalli, P, Hansen, F.D, Kay, L.E.
Deposit date:2008-04-30
Release date:2008-07-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structures of invisible, excited protein states by relaxation dispersion NMR spectroscopy
Proc.Natl.Acad.Sci.Usa, 105, 2008
6QLR
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BU of 6qlr by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2019-02-01
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
7WEJ
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BU of 7wej by Molmil
Crystal structure of the mouse Wdr47 NTD.
Descriptor: WD repeat-containing protein 47
Authors:Ren, J.Q, Li, D, Feng, W.
Deposit date:2021-12-23
Release date:2022-11-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Intertwined Wdr47-NTD dimer recognizes a basic-helical motif in Camsap proteins for proper central-pair microtubule formation.
Cell Rep, 41, 2022
2V5G
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BU of 2v5g by Molmil
Crystal structure of the mutated N263A YscU C-terminal domain
Descriptor: CHLORIDE ION, YSCU
Authors:Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W.
Deposit date:2008-10-06
Release date:2008-11-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica
J.Mol.Biol., 385, 2009
6HPX
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BU of 6hpx by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 19
Descriptor: 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
Authors:Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-09-22
Release date:2018-11-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
8A31
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BU of 8a31 by Molmil
p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694
Descriptor: 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2022-06-06
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
8A32
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BU of 8a32 by Molmil
p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769
Descriptor: 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ...
Authors:Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2022-06-06
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
5IX2
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BU of 5ix2 by Molmil
Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and unmodified H3 peptide
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, S, Du, J, Patel, D.J.
Deposit date:2016-03-23
Release date:2016-08-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mouse MORC3 is a GHKL ATPase that localizes to H3K4me3 marked chromatin
Proc.Natl.Acad.Sci.USA, 113, 2016
4X0Q
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BU of 4x0q by Molmil
Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2014-11-22
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Nat.Struct.Mol.Biol., 22, 2015
6O2U
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BU of 6o2u by Molmil
Crystal structure of the SARAF luminal domain
Descriptor: Store-operated calcium entry-associated regulatory factor
Authors:Kimberlin, C.R, Minor, D.L.
Deposit date:2019-02-24
Release date:2019-05-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
7WEK
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BU of 7wek by Molmil
Crystal structure of the mouse Wdr47 NTD in complex with the WBR motif form Camsap3.
Descriptor: WBR motif form Calmodulin-regulated spectrin-associated protein 3, WD repeat-containing protein 47
Authors:Ren, J.Q, Li, D, Feng, W.
Deposit date:2021-12-23
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Intertwined Wdr47-NTD dimer recognizes a basic-helical motif in Camsap proteins for proper central-pair microtubule formation.
Cell Rep, 41, 2022
6NYX
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BU of 6nyx by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-02-12
Release date:2019-07-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
7NQ6
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BU of 7nq6 by Molmil
High resolution crystal structure of C-terminal domain (residues 715-866) of Nucleoporin-98
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Nuclear pore complex protein Nup96, ...
Authors:Trakhanov, S, Goerlich, D, Huyton, T.
Deposit date:2021-03-01
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution crystal structure of C-terminal domain (residues 715-866) of Nucleoporin-98
To Be Published
6SXF
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BU of 6sxf by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Tamoxifen (2.8 Angstrom resolution)
Descriptor: (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.839 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
1G9B
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BU of 1g9b by Molmil
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH AN INHIBITOR (EXPERIMENT 1)
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, BOTULINUM NEUROTOXIN TYPE B, ZINC ION
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2000-11-22
Release date:2002-11-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel Mechanism for Clostridium botulinum Neurotoxin Inhibition
BIOCHEMISTRY, 41, 2002
2K21
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BU of 2k21 by Molmil
NMR structure of human KCNE1 in LMPG micelles at pH 6.0 and 40 degree C
Descriptor: Potassium voltage-gated channel subfamily E member
Authors:Kang, C, Tian, C, Sonnichsen, F.D, Smith, J.A, Meiler, J, George, A.L, Vanoye, C.G, Sanders, C.R, Kim, H.
Deposit date:2008-03-19
Release date:2008-12-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel.
Biochemistry, 47, 2008
6O0F
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BU of 6o0f by Molmil
Saxiphilin:STX complex, co-crystal
Descriptor: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Yen, T.J, Lolicato, M, Minor, D.L.
Deposit date:2019-02-16
Release date:2019-07-10
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
8FNO
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BU of 8fno by Molmil
Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
Deposit date:2022-12-28
Release date:2023-08-09
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023

236060

數據於2025-05-14公開中

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