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3KK7
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Crystal structure of Putative cell invasion protein with MAC/Perforin domain (NP_812351.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.46 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-04
Release date:2009-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron.
Acta Crystallogr.,Sect.F, 66, 2010
1TN6
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Protein Farnesyltransferase Complexed with a Rap2a Peptide Substrate and a FPP Analog at 1.8A Resolution
Descriptor: ACETIC ACID, Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ...
Authors:Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S.
Deposit date:2004-06-11
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity
J.Mol.Biol., 343, 2004
3KPW
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Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline
Descriptor: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
1DEU
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BU of 1deu by Molmil
CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN X: A CYSTEINE PROTEASE WITH THE PROREGION COVALENTLY LINKED TO THE ACTIVE SITE CYSTEINE
Descriptor: PROCATHEPSIN X
Authors:Sivaraman, J, Nagler, D.K, Zhang, R, Menard, R, Cygler, M.
Deposit date:1999-11-15
Release date:2000-02-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human procathepsin X: a cysteine protease with the proregion covalently linked to the active site cysteine.
J.Mol.Biol., 295, 2000
3KQP
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Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
1TPK
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BU of 1tpk by Molmil
CRYSTAL STRUCTURE OF THE KRINGLE-2 DOMAIN OF TISSUE PLASMINOGEN ACTIVATOR AT 2.4-ANGSTROMS RESOLUTION
Descriptor: CHLORIDE ION, TISSUE PLASMINOGEN ACTIVATOR
Authors:De vos, A.M, Ultsch, M.H, Kelley, R.F, Padmanabhan, K, Tulinsky, A, Westbrook, M.L, Kossiakoff, A.A.
Deposit date:1991-09-24
Release date:1992-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the kringle 2 domain of tissue plasminogen activator at 2.4-A resolution.
Biochemistry, 31, 1992
3KTV
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BU of 3ktv by Molmil
Crystal structure of the human SRP19/S-domain SRP RNA complex
Descriptor: MAGNESIUM ION, POTASSIUM ION, SRP RNA, ...
Authors:Wild, K, Bange, G, Bozkurt, G, Sinning, I.
Deposit date:2009-11-26
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural insights into the assembly of the human and archaeal signal recognition particles.
Acta Crystallogr.,Sect.D, 66, 2010
3KQT
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Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole
Descriptor: 1-methyl-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
1TQN
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Crystal Structure of Human Microsomal P450 3A4
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 3A4
Authors:Yano, J.K, Wester, M.R, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2004-06-17
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
J.Biol.Chem., 279, 2004
1TQE
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BU of 1tqe by Molmil
Mechanism of recruitment of class II histone deacetylases by myocyte enhancer factor-2
Descriptor: Histone deacetylase 9, MEF2 binding site of nur77 promoter, Myocyte-specific enhancer factor 2B
Authors:Chen, L, Han, A, He, J, Wu, Y, Liu, J.O.
Deposit date:2004-06-17
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Recruitment of Class II Histone Deacetylases by Myocyte Enhancer Factor-2.
J.Mol.Biol., 345, 2005
1DCQ
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BU of 1dcq by Molmil
CRYSTAL STRUCTURE OF THE ARF-GAP DOMAIN AND ANKYRIN REPEATS OF PAPBETA.
Descriptor: PYK2-ASSOCIATED PROTEIN BETA, ZINC ION
Authors:Mandiyan, V, Andreev, J, Schlessinger, J, Hubbard, S.R.
Deposit date:1999-11-05
Release date:1999-12-22
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ARF-GAP domain and ankyrin repeats of PYK2-associated protein beta.
EMBO J., 18, 1999
1DCY
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BU of 1dcy by Molmil
CRYSTAL STRUCTURE OF HUMAN S-PLA2 IN COMPLEX WITH INDOLE 3 ACTIVE SITE INHIBITOR
Descriptor: 1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P.
Deposit date:1999-11-05
Release date:1999-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
5SZJ
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BU of 5szj by Molmil
Structure of human Rab10 in complex with the bMERB domain of Mical-cL
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, MICAL C-terminal-like protein, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
3KYC
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BU of 3kyc by Molmil
Human SUMO E1 complex with a SUMO1-AMP mimic
Descriptor: 5'-deoxy-5'-(sulfamoylamino)adenosine, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Lima, C.D.
Deposit date:2009-12-05
Release date:2010-02-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
3KPU
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BU of 3kpu by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR0
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BU of 3kr0 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KRW
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BU of 3krw by Molmil
Human GRK2 in complex with Gbetgamma subunits and balanol (soak)
Descriptor: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2009-11-19
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
5T3R
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BU of 5t3r by Molmil
Crystal structure of BT1762-1763
Descriptor: MAGNESIUM ION, SODIUM ION, SusC homolog, ...
Authors:van den Berg, B.
Deposit date:2016-08-26
Release date:2016-12-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
5T5G
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BU of 5t5g by Molmil
human SETD8 in complex with MS2177
Descriptor: 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION
Authors:Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5SVO
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BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-06
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
1UW5
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BU of 1uw5 by Molmil
Structure of PITP-alpha complexed to phosphatidylinositol
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, PHOSPHATIDYLINOSITOL TRANSFER PROTEIN ALPHA ISOFORM
Authors:Tilley, S.J, Skippen, A, Murray-Rust, J, Cockcroft, S, McDonald, N.Q.
Deposit date:2004-01-30
Release date:2004-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Function Analysis of Human [Corrected] Phosphatidylinositol Transfer Protein Alpha Bound to Phosphatidylinositol.
Structure, 12, 2004
1VA1
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BU of 1va1 by Molmil
Solution Structure of Transcription Factor Sp1 DNA Binding Domain (Zinc Finger 1)
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Oka, S, Shiraishi, Y, Yoshida, T, Ohkubo, T, Sugiura, Y, Kobayashi, Y.
Deposit date:2004-02-07
Release date:2005-02-08
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of transcription factor Sp1 DNA binding domain
Biochemistry, 43, 2004
1DX9
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BU of 1dx9 by Molmil
W57A Apoflavodoxin from Anabaena
Descriptor: Flavodoxin, SULFATE ION
Authors:Romero, A, Sancho, J.
Deposit date:1999-12-23
Release date:2000-04-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Dissecting the Energetics of the Apoflavodoxin-Fmn Complex
J.Biol.Chem., 275, 2000
1V49
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BU of 1v49 by Molmil
Solution structure of microtubule-associated protein light chain-3
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Kouno, T, Mizuguchi, M, Tanida, I, Ueno, T, Kominami, E, Kawano, K.
Deposit date:2003-11-11
Release date:2004-12-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of microtubule-associated protein light chain 3 and identification of its functional subdomains.
J.Biol.Chem., 280, 2005
5VMW
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BU of 5vmw by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018

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