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6Q6U
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BU of 6q6u by Molmil
Crystal structure of C39S mutant of thioredoxin h1 from Chlamydomonas reinhardtii
Descriptor: Thioredoxin H-type
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D.
Deposit date:2018-12-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Biochemical Insights into the Reactivity of Thioredoxin h1 fromChlamydomonas reinhardtii.
Antioxidants (Basel), 8, 2019
4OS0
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BU of 4os0 by Molmil
Three-dimensional structure of the C65A-W54F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
Deposit date:2014-02-12
Release date:2014-08-06
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
8VZX
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BU of 8vzx by Molmil
Q108K:K40L:T53A:R58F mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
6Q82
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BU of 6q82 by Molmil
Crystal structure of the biportin Pdr6 in complex with RanGTP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin beta-like protein KAP122, ...
Authors:Aksu, M, Vera-Rodriguez, A, Trakhanov, S, Gorlich, D.
Deposit date:2018-12-14
Release date:2019-05-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
4MWH
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BU of 4mwh by Molmil
Crystal structure of scCK2 alpha in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ...
Authors:Liu, H.
Deposit date:2013-09-24
Release date:2013-11-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
5TLJ
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BU of 5tlj by Molmil
COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2016-10-11
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
4MXF
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BU of 4mxf by Molmil
X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Descriptor: GOLD ION, Ribonuclease pancreatic
Authors:Russo Krauss, I, Vergara, A, Merlino, A.
Deposit date:2013-09-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(iii) compound.
Metallomics, 6, 2014
6QHA
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BU of 6qha by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B
Descriptor: GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ...
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QIH
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BU of 6qih by Molmil
Pancreatic Bovine Trypsin with a boronic acid inhibitor
Descriptor: CALCIUM ION, Cationic trypsin, DI(HYDROXYETHYL)ETHER, ...
Authors:Santos-Silva, T, Correia, H.D.
Deposit date:2019-01-18
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Pancreatic Bovine Trypsin with a boronic acid inhibitor
To Be Published
7Q77
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BU of 7q77 by Molmil
Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
4Y43
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BU of 4y43 by Molmil
Endothiapepsin in complex with fragment 42
Descriptor: (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4E
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BU of 4y4e by Molmil
Endothiapepsin in complex with fragment 131
Descriptor: ACETATE ION, Endothiapepsin, GLYCEROL, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
7Q76
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BU of 7q76 by Molmil
Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
Descriptor: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
Authors:Orth, P.
Deposit date:2021-08-02
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
6F1O
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BU of 6f1o by Molmil
Orthorhombic Lysozyme crystallized at 298 K and pH 4.5
Descriptor: CHLORIDE ION, Lysozyme C, PHOSPHATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-11-22
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
5TBX
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BU of 5tbx by Molmil
hnRNP A18 RNA Recognition Motif
Descriptor: ACETATE ION, Cold-inducible RNA-binding protein, NICKEL (II) ION
Authors:Coburn, K.M, Melville, Z, Aligholizadeh, E, Roth, B.M, Varney, K.M, Weber, D.J.
Deposit date:2016-09-13
Release date:2017-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4YDZ
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BU of 4ydz by Molmil
Stress-induced protein 1 from Caenorhabditis elegans
Descriptor: Stress-induced protein 1
Authors:Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
Deposit date:2015-02-23
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
6QE1
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BU of 6qe1 by Molmil
P38 alpha complex with AR117046
Descriptor: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Brown, D.G, Hurley, C, Irving, S.L.
Deposit date:2019-01-03
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:P38 alpha complex with AR117045 and AR117046
To Be Published
6F1F
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BU of 6f1f by Molmil
The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure
Descriptor: GLYCEROL, Pancreatic trypsin inhibitor, SULFATE ION
Authors:Lansky, S, Mousa, R, Metanis, N, Shoham, G.
Deposit date:2017-11-21
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.716 Å)
Cite:BPTI folding revisited: switching a disulfide into methylene thioacetal reveals a previously hidden path.
Chem Sci, 9, 2018
6F1M
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BU of 6f1m by Molmil
Lysozyme crystallized in presence of 100 mM sodium phosphate at pH 4.5: low-humidity form
Descriptor: Lysozyme C
Authors:Camara-Artigas, A.
Deposit date:2017-11-22
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
6F5E
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BU of 6f5e by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, DD_D12_10_47, Mitogen-activated protein kinase 8
Authors:Wu, Y, Mittl, P.R, Honegger, A, Batyuk, A, Plueckthun, A.
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
To be published
6QFH
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BU of 6qfh by Molmil
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
Descriptor: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
Authors:Thorpe, J.H.
Deposit date:2019-01-10
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
8V2O
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BU of 8v2o by Molmil
Cryo-EM Structure of Wildtype Smooth Muscle Gamma Actin (ACTG2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ...
Authors:Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R.
Deposit date:2023-11-23
Release date:2024-05-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Molecular mechanisms linking missense ACTG2 mutations to visceral myopathy.
Sci Adv, 10, 2024
4YF2
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BU of 4yf2 by Molmil
Crystal structure of mouse sperm C-type lysozyme-like protein 1
Descriptor: Sperm acrosome membrane-associated protein 3
Authors:Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W.
Deposit date:2015-02-24
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
6F60
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BU of 6f60 by Molmil
The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand
Descriptor: Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound
Authors:Merlino, A, Ferraro, G.
Deposit date:2017-12-04
Release date:2018-04-25
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules.
Inorg Chem, 57, 2018

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PDB entries from 2024-09-11

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