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8THY
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BU of 8thy by Molmil
Yeast actin A167E mutant rabbit-like
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
Authors:Volkmann, N, Hanein, D.
Deposit date:2023-07-18
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:yeast actin A167E mutant rabbit-like
To Be Published
6E5Q
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BU of 6e5q by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-21
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
8THX
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BU of 8thx by Molmil
Yeast actin A167E mutant wt-like
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
Authors:Volkmann, N, Hanein, D.
Deposit date:2023-07-18
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:yeast actin A167E mutant wt-like
To Be Published
4Y0S
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BU of 4y0s by Molmil
Goat beta-lactoglobulin complex with pramocaine (GLG-PRM)
Descriptor: Beta-lactoglobulin, Pramocaine, SULFATE ION
Authors:Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K.
Deposit date:2015-02-06
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies.
Int.J.Biol.Macromol., 80, 2015
8TLR
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BU of 8tlr by Molmil
Crystal Structure of human HRAS G12C covalently bound to AMG 510
Descriptor: AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Morstein, J, Guiley, K.Z, Shokat, K.M.
Deposit date:2023-07-27
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.70003951 Å)
Cite:Targeting Ras-, Rho-, and Rab-Family GTPases via a Conserved Cryptic Pocket
To Be Published
6E5T
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BU of 6e5t by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO)
Descriptor: (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1
Authors:Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-23
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4OO5
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BU of 4oo5 by Molmil
Crystal Structure of S-nitrosated Human Thioredoxin Mutant
Descriptor: Thioredoxin
Authors:The, J, Weichsel, A, Montfort, W.R.
Deposit date:2014-01-30
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structure of a Thioredoxin Mutant Displays a Dynamic N-terminal Loop Surrounding an S-nitrosation Site
To be Published
4Y37
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BU of 4y37 by Molmil
Endothiapepsin in complex with fragement 305
Descriptor: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4X9J
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BU of 4x9j by Molmil
EGR-1 with Doubly Methylated DNA
Descriptor: DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J.
Deposit date:2014-12-11
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.
Febs Lett., 589, 2015
8TI3
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BU of 8ti3 by Molmil
Yeast actin wild type
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION
Authors:Volkmann, N, Hanein, D.
Deposit date:2023-07-19
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:yeast actin wild type
To Be Published
6E8M
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BU of 6e8m by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human DnaJ-A1 pTyr381 peptide
Descriptor: DnaJ-A1 pTyr381 peptide, LeSH (Llo2327)
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-30
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6E6F
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BU of 6e6f by Molmil
KRAS G13D bound to GppNHp (K13GNP)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Johnson, C.W, Mattos, C.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
4Y3A
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BU of 4y3a by Molmil
Endothiapepsin in complex with fragment 181
Descriptor: 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
6E6G
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BU of 6e6g by Molmil
KRAS G13D bound to GDP (K13GDP)
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
7QAB
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BU of 7qab by Molmil
NMR Solution Structure of mussel adhesive protein Pvfp-5b
Descriptor: PVFP-5
Authors:Morando, M.A, Venturella, F, Pastore, A, Alfano, C.
Deposit date:2021-11-16
Release date:2022-08-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of recombinant Pvfp-5 beta reveals insights into mussel adhesion.
Commun Biol, 5, 2022
6E7M
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BU of 6e7m by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-26
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
4OH2
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BU of 4oh2 by Molmil
Crystal Structure of Cu/Zn Superoxide Dismutase I149T
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Crane, B.R, Merz, G.E.
Deposit date:2014-01-16
Release date:2014-10-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Copper-Based Pulsed Dipolar ESR Spectroscopy as a Probe of Protein Conformation Linked to Disease States.
Biophys.J., 107, 2014
8TLO
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BU of 8tlo by Molmil
Crystal Structure Analysis of BCL11A in complex with DNA
Descriptor: B-cell lymphoma/leukemia 11A, DNA (5'-D(P*CP*GP*AP*CP*CP*GP*CP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*CP*CP*AP*AP*TP*GP*CP*GP*GP*TP*CP*GP*C)-3'), ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2023-07-27
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Crystal Structure Analysis of BCL11A in complex with DNA
To Be Published
7QAJ
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BU of 7qaj by Molmil
ZK002 with Anti-angiogenic and Anti-inflamamtory Properties
Descriptor: SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta
Authors:Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S.
Deposit date:2021-11-17
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
4XDE
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BU of 4xde by Molmil
Coagulation Factor XII protease domain crystal structure
Descriptor: CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL
Authors:Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
Deposit date:2014-12-19
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
7QAC
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BU of 7qac by Molmil
The T2 structure of polycrystalline cubic human insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I.
Deposit date:2021-11-16
Release date:2023-06-21
Last modified:2024-02-07
Method:POWDER DIFFRACTION (2.29 Å)
Cite:The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
5SGA
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BU of 5sga by Molmil
Structures of product and inhibitor complexes of Streptomyces griseus protease a at 1.8 Angstroms resolution. a model for serine protease catalysis
Descriptor: PROTEINASE A (SGPA), TETRAPEPTIDE ACE-PRO-ALA-PRO-TYR
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1990-05-29
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis.
J.Mol.Biol., 144, 1980
4OMN
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BU of 4omn by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128E
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022

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