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PDB: 51964 results

5JU9
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BU of 5ju9 by Molmil
Structure of a beta-1,4-mannanase, SsGH134, in complex with Man3.
Descriptor: CHLORIDE ION, beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
6YPJ
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BU of 6ypj by Molmil
Crystal Structure of CK2alpha with Compound 1 bound
Descriptor: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5GVS
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BU of 5gvs by Molmil
Crystal structure of the DDX41 DEAD domain in an apo open form
Descriptor: Probable ATP-dependent RNA helicase DDX41
Authors:Omura, H, Oikawa, D, Nakane, T, Kato, M, Ishii, R, Goto, Y, Suga, H, Ishitani, R, Tokunaga, F, Nureki, O.
Deposit date:2016-09-06
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Analysis of DDX41: a bispecific immune receptor for DNA and cyclic dinucleotide
Sci Rep, 6, 2016
3A1B
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BU of 3a1b by Molmil
Crystal structure of the DNMT3A ADD domain in complex with histone H3
Descriptor: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, Histone H3.1, ...
Authors:Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M.
Deposit date:2009-03-28
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Embo Rep., 10, 2009
6YPL
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BU of 6ypl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037
Descriptor: (2-methylsulfonylphenyl)methanol, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
5GAE
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BU of 5gae by Molmil
RNC in complex with a translocating SecYEG
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N.
Deposit date:2015-11-25
Release date:2016-01-27
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon.
Nat Commun, 7, 2016
3A1P
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BU of 3a1p by Molmil
Structure of Ribosome maturation protein RimM and Ribosomal protein S19
Descriptor: 30S ribosomal protein S19, Ribosome maturation factor rimM, UNKNOWN ATOM OR ION
Authors:Kaminishi, T, Takemoto, C, Tatsuguchi, A, Kawazoe, M, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-04-21
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Ribosome maturation protein RimM and Ribosomal protein S19
To be Published
5GX5
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BU of 5gx5 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 26 MGy (23rd measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
3A1Y
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BU of 3a1y by Molmil
The structure of archaeal ribosomal stalk P1/P0 complex
Descriptor: 50S ribosomal protein P1 (L12P), Acidic ribosomal protein P0
Authors:Naganuma, T, Yao, M, Nomura, N, Yu, J, Uchiumi, T, Tanaka, I.
Deposit date:2009-04-25
Release date:2009-11-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for translation factor recruitment to the eukaryotic/archaeal ribosomes
J.Biol.Chem., 285, 2010
1JTM
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BU of 1jtm by Molmil
Alternative Structures of a Sequence Extended T4 Lysozyme Show that the Highly Conserved Beta-Sheet has Weak Intrinsic Folding Propensity
Descriptor: BETA-MERCAPTOETHANOL, LYSOZYME
Authors:Sagermann, M, Matthews, B.W.
Deposit date:2001-08-21
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of a T4-lysozyme Duplication-extension Mutant Demonstrate that the Highly Conserved beta-Sheet Region has Low Intrinsic Folding Propensity
J.Mol.Biol., 316, 2002
6YFH
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BU of 6yfh by Molmil
Virus-like particle of bacteriophage EMS014
Descriptor: coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.893 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
3A28
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BU of 3a28 by Molmil
Crystal structure of L-2,3-butanediol dehydrogenase
Descriptor: BETA-MERCAPTOETHANOL, L-2.3-butanediol dehydrogenase, MAGNESIUM ION, ...
Authors:Otagiri, M, Kurisu, G, Ui, S, Kusunoki, M.
Deposit date:2009-05-02
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for chiral substrate recognition by two 2,3-butanediol dehydrogenases
Febs Lett., 584, 2010
3A0I
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BU of 3a0i by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Mitsuya, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
6YFQ
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BU of 6yfq by Molmil
Virus-like particle of bacteriophage NT-214
Descriptor: coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
5JWS
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BU of 5jws by Molmil
T4 Lysozyme L99A with 1-Hydro-2-ethyl-1,2-azaborine Bound
Descriptor: 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin
Authors:Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
Deposit date:2016-05-12
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
1JWW
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BU of 1jww by Molmil
NMR characterization of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis
Descriptor: Potential copper-transporting ATPase
Authors:Banci, L, Bertini, I, Ciofi-Baffoni, S, D'Onofrio, M, Gonnelli, L, Marhuenda-Egea, F, Ruiz-Duenas, F.J.
Deposit date:2001-09-05
Release date:2002-04-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis in the apo and Cu(I) loaded states.
J.Mol.Biol., 317, 2002
7SFH
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BU of 7sfh by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML102
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-03
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
7SGH
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BU of 7sgh by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N
Descriptor: (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
6YIP
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BU of 6yip by Molmil
Structure of MKLP2 coiled coil
Descriptor: ISOPROPYL ALCOHOL, Kinesin-like protein KIF20A
Authors:Serena, M, Elliott, P.R, Barr, F.A.
Deposit date:2020-04-01
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
5G6U
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BU of 5g6u by Molmil
Crystal structure of langerin carbohydrate recognition domain with GlcNS6S
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F.
Deposit date:2016-07-21
Release date:2018-02-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition.
ACS Chem. Biol., 13, 2018
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLY
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BU of 3fly by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3AA7
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BU of 3aa7 by Molmil
Crystal structure of Actin capping protein
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, F-actin-capping protein subunit alpha-1, ...
Authors:Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y.
Deposit date:2009-11-11
Release date:2010-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
3FMM
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BU of 3fmm by Molmil
P38 kinase crystal structure in complex with RO6226
Descriptor: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:P38 kinase crystal structure in complex with RO6226
To be Published

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