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6Q9H
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BU of 6q9h by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
1RB0
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BU of 1rb0 by Molmil
CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI HPPK WITH 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.35 ANGSTROM RESOLUTION
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Authors:Blaszczyk, J, Ji, X.
Deposit date:2003-10-31
Release date:2004-11-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
2XVD
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BU of 2xvd by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2010-10-25
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
Bioorg.Med.Chem.Lett., 21, 2011
7FG6
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BU of 7fg6 by Molmil
Crystal structure of the Tyrosyl-tRNA synthetase (TyrRS) in Nanoarchaeum equitans
Descriptor: Tyrosine--tRNA ligase
Authors:Noguchi, H, Kamata, K, Park, S.Y, Tamura, K.
Deposit date:2021-07-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Nanoarchaeum equitans tyrosyl-tRNA synthetase and its aminoacylation activity toward tRNA Tyr with an extra guanosine residue at the 5'-terminus.
Biochem.Biophys.Res.Commun., 575, 2021
6FNB
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BU of 6fnb by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2018-02-02
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
2ADI
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BU of 2adi by Molmil
Crystal structure of monoclonal anti-CD4 antibody Q425 in complex with Barium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, Q425 Fab Heavy chain, ...
Authors:Zhou, T, Hamer, D.H, Hendrickson, W.A, Sattentau, Q.J, Kwong, P.D.
Deposit date:2005-07-20
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Interfacial metal and antibody recognition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZE1
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BU of 3ze1 by Molmil
Integrin alphaIIB beta3 headpiece and RGD peptide complex
Descriptor: 10E5 FAB HEAVY CHAIN, 10E5 FAB LIGHT CHAIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, J.H, Zhu, J.Q, Springer, T.A.
Deposit date:2012-12-03
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Complete Integrin Headpiece Opening in Eight Steps.
J.Cell Biol., 201, 2013
5V95
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BU of 5v95 by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with manganese.
Descriptor: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
1S78
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BU of 1s78 by Molmil
Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ...
Authors:Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X.
Deposit date:2004-01-29
Release date:2004-04-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004
1O76
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BU of 1o76 by Molmil
CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D, Schlichting, I.
Deposit date:2002-10-23
Release date:2002-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes
Arch.Biochem.Biophys., 409, 2003
5VC6
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BU of 5vc6 by Molmil
crystal structure of human WEE1 kinase domain in complex with PHA-848125
Descriptor: 1,2-ETHANEDIOL, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, Wee1-like protein kinase
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-03-31
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
7NH3
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BU of 7nh3 by Molmil
Nematocida Huwe1 in open conformation.
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Petrova, O, Grishkovskaya, I, Grabarczyk, D.B, Kessler, D, Haselbach, D, Clausen, T.
Deposit date:2021-02-09
Release date:2022-03-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.37 Å)
Cite:Crystal structure of HUWE1: One ring to ubiquitinate them all
To Be Published
6MJ7
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BU of 6mj7 by Molmil
Crystal structure of p62 ZZ domain in complex with free arginine
Descriptor: 1,4-DIETHYLENE DIOXIDE, ARGININE, Sequestosome-1, ...
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
1VFL
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BU of 1vfl by Molmil
Adenosine deaminase
Descriptor: Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2004-04-16
Release date:2005-08-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
2TRH
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BU of 2trh by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: TRANSTHYRETIN
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1996-10-16
Release date:1997-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
2TRY
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BU of 2try by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: TRANSTHYRETIN
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1996-10-21
Release date:1997-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
7SGY
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BU of 7sgy by Molmil
Cannabis sativa bibenzyl synthase
Descriptor: Bibenzyl synthase, CHLORIDE ION
Authors:Kimber, M.S, Forrester, T.J.B.
Deposit date:2021-10-07
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bibenzyl synthesis in Cannabis sativa L.
Plant J., 109, 2022
6MSE
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BU of 6mse by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-11-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
2OID
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BU of 2oid by Molmil
Crystal structure of IRAK4 kinase domain complexed with AMPPNP
Descriptor: Interleukin-1 receptor-associated kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kuglstatter, A, Villasenor, A.G, Browner, M.F.
Deposit date:2007-01-10
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
4I91
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BU of 4i91 by Molmil
Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene.
Descriptor: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2012-12-04
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6.
J.Am.Chem.Soc., 135, 2013
3CHT
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BU of 3cht by Molmil
Crystal Structure of Di-iron AurF with partially bound Ligand
Descriptor: 4-NITROBENZOIC ACID, MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase
Authors:Zhang, H, Brunzelle, J.S, Nair, S.K.
Deposit date:2008-03-10
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1RTX
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BU of 1rtx by Molmil
Crystal Structure of Synechocystis Hemoglobin with a Covalent Heme Linkage
Descriptor: CADMIUM ION, Cyanoglobin, POTASSIUM ION, ...
Authors:Hoy, J.A, Kundu, S, Trent, J.T, Ramaswamy, S, Hargrove, M.S.
Deposit date:2003-12-10
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of synechocystis hemoglobin with a covalent heme linkage.
J.Biol.Chem., 279, 2004
2XYW
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BU of 2xyw by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Descriptor: 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
Authors:Marquette, J.-P, Mathieu, M.
Deposit date:2010-11-19
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
4C38
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BU of 4c38 by Molmil
PKA-S6K1 Chimera with compound 21e (CCT239066) bound
Descriptor: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013

224931

数据于2024-09-11公开中

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