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3GPW
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BU of 3gpw by Molmil
Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand
Descriptor: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B.
Deposit date:2009-03-23
Release date:2009-09-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
1Q6Z
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BU of 1q6z by Molmil
HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH THIAMIN THIAZOLONE DIPHOSPHATE
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Bera, A.K, Hasson, M.S.
Deposit date:2003-08-14
Release date:2004-11-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1 Å)
Cite:High Resolution Structure of E28A Mutant Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamin Thiazolone Diphosphate
To be Published
3GXM
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BU of 3gxm by Molmil
Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, SULFATE ION
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3H44
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BU of 3h44 by Molmil
Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha
Descriptor: 1,4-DIETHYLENE DIOXIDE, C-C motif chemokine 3, Insulin-degrading enzyme, ...
Authors:Ren, M, Guo, Q, Tang, W.J.
Deposit date:2009-04-17
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Macrophage Inflammatory Protein-1 Is A Novel High Affinity Substrate For Human Insulin Degrading Enzyme
To be Published
3GPT
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BU of 3gpt by Molmil
Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: slow substrate ligand
Descriptor: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B.
Deposit date:2009-03-23
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
3H6H
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BU of 3h6h by Molmil
Crystal structure of the GluR6 amino terminal domain dimer assembly MPD form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glutamate receptor, ...
Authors:Kumar, J, Mayer, M.L.
Deposit date:2009-04-23
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:The N-terminal domain of GluR6-subtype glutamate receptor ion channels.
Nat.Struct.Mol.Biol., 16, 2009
1QYE
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BU of 1qye by Molmil
Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine
Descriptor: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 2-CHLORODIDEOXYADENOSINE, Endoplasmin
Authors:Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T.
Deposit date:2003-09-10
Release date:2003-11-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the N-terminal Domain of GRP94. Basis for Ligand Specificity and Regulation
J.Biol.Chem., 278, 2003
1QZ1
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BU of 1qz1 by Molmil
Crystal Structure of the Ig 1-2-3 fragment of NCAM
Descriptor: Neural cell adhesion molecule 1, 140 kDa isoform
Authors:Soroka, V, Kolkova, K, Kastrup, J.S, Diederichs, K, Breed, J, Kiselyov, V.V, Poulsen, F.M, Larsen, I.K, Welte, W, Berezin, V, Bock, E, Kasper, C.
Deposit date:2003-09-15
Release date:2003-11-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion
Structure, 11, 2003
3HC6
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BU of 3hc6 by Molmil
FXR with SRC1 and GSK088
Descriptor: 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
1R0A
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BU of 1r0a by Molmil
Crystal structure of HIV-1 reverse transcriptase covalently tethered to DNA template-primer solved to 2.8 angstroms
Descriptor: 5'-D(*A*TP*GP*CP*AP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*GP*GP*T)-3', 5'-D(*C*CP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*AP*GP*CP*GP*CP*CP*GP*(2DA))-3', GLYCEROL, ...
Authors:Tuske, S, Ding, J, Arnold, E.
Deposit date:2003-09-19
Release date:2004-08-03
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nonnucleoside inhibitor binding affects the interactions of the fingers subdomain of human immunodeficiency virus type 1 reverse transcriptase with DNA.
J.Virol., 78, 2004
1QYF
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BU of 1qyf by Molmil
Crystal structure of matured green fluorescent protein R96A variant
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, green-fluorescent protein
Authors:Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2003-09-10
Release date:2003-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures.
Proc.Natl.Acad.Sci.Usa, 100, 2003
3HE6
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BU of 3he6 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta8.2 NKT TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2009-05-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3HF2
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BU of 3hf2 by Molmil
Crystal structure of the I401P mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2009-05-10
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
3HF9
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BU of 3hf9 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant modified by inhibitor GL1
Descriptor: Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H.
Deposit date:2009-05-11
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
1R05
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BU of 1r05 by Molmil
Solution Structure of Max B-HLH-LZ
Descriptor: Max protein
Authors:Sauv, S, Tremblay, L, Lavigne, P.
Deposit date:2003-09-19
Release date:2003-10-21
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:The NMR solution structure of a mutant of the Max b/HLH/LZ free of DNA: insights into the specific and reversible DNA binding mechanism of dimeric transcription factors
J.Mol.Biol., 342, 2004
3LFI
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BU of 3lfi by Molmil
Crystal structure of fructosyltransferase (wild-type) from A. japonicus in complex with glucose
Descriptor: Fructosyltransferase, beta-D-glucopyranose
Authors:Chuankhayan, P, Chen, C.J, Chiang, C.M.
Deposit date:2010-01-17
Release date:2010-05-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Aspergillus japonicus fructosyltransferase complex with donor/acceptor substrates reveal complete sbusites in the active site for catalysis
To be Published
4BJ1
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BU of 4bj1 by Molmil
Crystal structure of Saccharomyces cerevisiae RIF2
Descriptor: CHLORIDE ION, PROTEIN RIF2
Authors:Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H.
Deposit date:2013-04-15
Release date:2013-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions
Cell(Cambridge,Mass.), 153, 2013
6ZC7
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BU of 6zc7 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
4BLD
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BU of 4bld by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
3LTE
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BU of 3lte by Molmil
CRYSTAL STRUCTURE OF RESPONSE REGULATOR (SIGNAL RECEIVER DOMAIN) FROM Bermanella marisrubri
Descriptor: GLYCEROL, PHOSPHATE ION, Response regulator
Authors:Patskovsky, Y, Toro, R, Gilmore, M, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-02-15
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF RESPONSE REGULATOR SIGNAL RECEIVER DOMAIN FROM Bermanella marisrubri RED65
To be Published
3IG9
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BU of 3ig9 by Molmil
Small outer capsid protein (SOC) of bacteriophage RB69
Descriptor: IMIDAZOLE, Soc small outer capsid protein
Authors:Li, Q, Fokine, A, O'Donnell, E, Rao, V.B, Rossmann, M.G.
Deposit date:2009-07-27
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Small Outer Capsid Protein, Soc: A Clamp for Stabilizing Capsids of T4-like Phages
J.Mol.Biol., 395, 2010
5LF0
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BU of 5lf0 by Molmil
Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom
Descriptor: CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
3M32
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BU of 3m32 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
4BEW
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BU of 4bew by Molmil
SERCA bound to phosphate analogue
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ACETATE ION, MAGNESIUM ION, ...
Authors:Drachmann, N.D, Mattle, D, Laursen, M, Bublitz, M, Olesen, C, Moeller, J.V, Nissen, P, Morth, J.P.
Deposit date:2013-03-12
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serca Bound to Phosphate Analogue
To be Published
3LK0
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BU of 3lk0 by Molmil
X-ray structure of bovine SC0067,Ca(2+)-S100B
Descriptor: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B
Authors:Charpentier, T.H, Weber, D.J, Wilder, P.W.
Deposit date:2010-01-26
Release date:2010-12-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010

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