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PDB: 45955 results

2HZI
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BU of 2hzi by Molmil
Abl kinase domain in complex with PD180970
Descriptor: 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-09
Release date:2007-01-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
4Q9Y
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BU of 4q9y by Molmil
Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II
Descriptor: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-05-02
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
7KE9
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BU of 7ke9 by Molmil
SARS-CoV-2 D614G 1-RBD-up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-D614G sub-classification)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2020-10-10
Release date:2020-11-04
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
4Q7S
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BU of 4q7s by Molmil
Crystal Structure of 1-hydroxy-4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4QAH
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BU of 4qah by Molmil
The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Bi, W.X.
Deposit date:2014-05-05
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop
Int.J.Biochem.Cell Biol., 57C, 2014
4Q81
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BU of 4q81 by Molmil
Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
2OPA
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BU of 2opa by Molmil
YwhB binary complex with 2-Fluoro-p-hydroxycinnamate
Descriptor: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, Probable tautomerase ywhB
Authors:Hackert, M.L, Whitman, C.P, Almrud, J.J.
Deposit date:2007-01-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of YwhB, a 4-Oxalocrotonate Tautomerase Homologue from Bacillus subtilis: the Structural Basis for Catalysis, Inhibition, and Reaction Stereoselectivity.
TO BE PUBLISHED
3ZE6
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BU of 3ze6 by Molmil
3D structure of the Ni-Fe-Se hydrogenase from D. vulgaris Hildenborough in the as-isolated oxidized state at 1.50 Angstroms
Descriptor: 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II), CARBONMONOXIDE-(DICYANO) IRON, ...
Authors:Marques, M.C, Coelho, R, Pereira, I.A.C, Matias, P.M.
Deposit date:2012-12-03
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Redox State-Dependent Changes in the Crystal Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough
Int.J.Hydrogen Energy, 2013
6T9K
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BU of 6t9k by Molmil
SAGA Core module
Descriptor: Protein SPT3, SAGA-associated factor 73, Transcription factor SPT20, ...
Authors:Wang, H, Cheung, A, Cramer, P.
Deposit date:2019-10-28
Release date:2020-01-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the transcription coactivator SAGA.
Nature, 577, 2020
2VGI
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BU of 2vgi by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE: R486W MUTANT
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
Authors:Valentini, G, Chiarelli, L, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
Deposit date:2007-11-13
Release date:2007-11-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
5SX2
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BU of 5sx2 by Molmil
Crystal structure of the D141E mutant of B. pseudomallei KatG at pH 8.0.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-09
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Two alternative substrate paths for compound I formation and reduction in catalase-peroxidase KatG from Burkholderia pseudomallei.
Proteins, 66, 2007
5SYY
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BU of 5syy by Molmil
Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-12
Release date:2016-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:B. pseudomallei KatG variant S324G
To be published
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
1TUH
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BU of 1tuh by Molmil
Structure of Bal32a from a Soil-Derived Mobile Gene Cassette
Descriptor: ACETATE ION, hypothetical protein EGC068
Authors:Robinson, A, Wu, P.S.-C, Harrop, S.J, Schaeffer, P.M, Dixon, N.E, Gillings, M.R, Holmes, A.J, Nevalainen, K.M.H, Otting, G, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C.
Deposit date:2004-06-25
Release date:2004-07-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Integron-associated Mobile Gene Cassettes Code for Folded Proteins: The Structure of Bal32a, a New Member of the Adaptable alpha+beta Barrel Family
J.Mol.Biol., 346, 2005
2V5T
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BU of 2v5t by Molmil
Crystal structure of NCAM2 Ig2-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NEURAL CELL ADHESION MOLECULE 2, ...
Authors:Kulahin, N, Rasmussen, K.K, Kristensen, O, Berezin, V, Bock, E, Walmod, P.S, Gajhede, M.
Deposit date:2007-07-10
Release date:2008-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Model and Trans-Interaction of the Entire Ectodomain of the Olfactory Cell Adhesion Molecule.
Structure, 19, 2011
2OLI
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BU of 2oli by Molmil
Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution
Descriptor: INDOLYLPROPIONIC ACID, Phospholipase A2 VRV-PL-VIIIa
Authors:Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-01-19
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution
To be Published
5T1L
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BU of 5t1l by Molmil
Cetuximab Fab in complex with CQA(Ph)2DLSTRRLKC peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CETUXIMAB FAB HEAVY CHAIN, CETUXIMAB FAB LIGHT CHAIN, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-08-19
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3DU2
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BU of 3du2 by Molmil
E(L212)A mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Schiffer, M.
Deposit date:2008-07-16
Release date:2009-06-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:E(L212)A mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
To be Published
2I5P
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BU of 2i5p by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase isoform 1 from K. marxianus
Descriptor: BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase 1, alpha-D-glucopyranose
Authors:Ferreira-da-Silva, F, Pereira, P.J.B, Gales, L, Moradas-Ferreira, P, Damas, A.M.
Deposit date:2006-08-25
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal and Solution Structures of Glyceraldehyde-3-phosphate Dehydrogenase Reveal Different Quaternary Structures.
J.Biol.Chem., 281, 2006
3WYR
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BU of 3wyr by Molmil
Crystal structure of Killer cell immunoglobulin-like receptor 2DL4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell immunoglobulin-like receptor 2DL4
Authors:Vivian, J.P, Moradi, S, Rossjohn, J.
Deposit date:2014-09-07
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the atypical killer cell immunoglobulin-like receptor, KIR2DL4.
J.Biol.Chem., 290, 2015
5CNT
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BU of 5cnt by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
6TE4
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BU of 6te4 by Molmil
Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide
Descriptor: Pro-Pro-Leu-Ala-Ser-Lys, Tse8
Authors:Sainz-Polo, M.A, Capuni, R, Lucas, M, Altuna, J, Fucini, P, Montanchez, I, Albesa-Jove, D.
Deposit date:2019-11-11
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8.
J.Struct.Biol., 212, 2020
6TLB
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BU of 6tlb by Molmil
Plasmodium falciparum lipocalin (PF3D7_0925900)
Descriptor: GLYCEROL, SODIUM ION, Serine/threonine protein kinase
Authors:Burda, P.C, Crosskey, T.D, Lauk, K, Wilmanns, M, Gilberger, T.W.
Deposit date:2019-12-02
Release date:2020-06-24
Last modified:2024-01-24
Method:SOLUTION SCATTERING (2.85 Å), X-RAY DIFFRACTION
Cite:Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum.
Cell Rep, 31, 2020
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
3SDM
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BU of 3sdm by Molmil
Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P.
Deposit date:2011-06-09
Release date:2011-07-13
Method:X-RAY DIFFRACTION (6.6 Å)
Cite:Cofactor-mediated conformational control in the bifunctional kinase/RNase Ire1.
Bmc Biol., 9, 2011

224004

數據於2024-08-21公開中

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