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PDB: 17170 results

4N6X
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Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1
Descriptor: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein
Authors:Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2013-10-14
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.051 Å)
Cite:New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
4MVO
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Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.296 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
4MVU
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Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
4MW8
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Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.256 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
6MV1
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2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
4MY2
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Crystal Structure of Norrin in fusion with Maltose Binding Protein
Descriptor: Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E.
Deposit date:2013-09-27
Release date:2013-11-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
4ROE
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BU of 4roe by Molmil
Human TFIIB-related factor 2 (Brf2) and TBP bound to RPPH1 promoter
Descriptor: MAGNESIUM ION, Non-template strand, TATA-box-binding protein, ...
Authors:Vannini, A, Gouge, J, Satia, K, Guthertz, N.
Deposit date:2014-10-28
Release date:2015-12-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2.
Cell(Cambridge,Mass.), 163, 2015
6MV2
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2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
7P8J
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Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.585 Å)
Cite:Constrained Evolution of SARS-CoV-2 Spike in Rhinolophus affinis Bats
To Be Published
7P8I
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Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
1AF3
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BU of 1af3 by Molmil
RAT BCL-XL AN APOPTOSIS INHIBITORY PROTEIN
Descriptor: APOPTOSIS REGULATOR BCL-X
Authors:Aritomi, M, Kunishima, N, Inohara, N, Ishibashi, Y, Ohta, S, Morikawa, K.
Deposit date:1997-03-21
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of rat Bcl-xL. Implications for the function of the Bcl-2 protein family.
J.Biol.Chem., 272, 1997
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4ROD
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BU of 4rod by Molmil
Human TFIIB-related factor 2 (Brf2) and TBP bound to TRNAU1 promoter
Descriptor: Non-template strand, TATA-box-binding protein, Template strand, ...
Authors:Vannini, A, Gouge, J, Satia, K, Guthertz, N.
Deposit date:2014-10-28
Release date:2015-12-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2.
Cell(Cambridge,Mass.), 163, 2015
7PUQ
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BU of 7puq by Molmil
CARM1 in complex with EML982
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-09-30
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7PPY
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BU of 7ppy by Molmil
CARM1 in complex with EML709
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J.
Deposit date:2021-09-15
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7PPQ
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BU of 7ppq by Molmil
CARM1 in complex with EML736
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J.
Deposit date:2021-09-14
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7PV6
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CARM1 in complex with EML734
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, TETRAETHYLENE GLYCOL, ...
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-10-01
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7PUC
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BU of 7puc by Molmil
CARM1 in complex with EML981
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J.
Deposit date:2021-09-29
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7PU8
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CARM1 in complex with EML980
Descriptor: 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-09-28
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
4RUO
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BU of 4ruo by Molmil
Crystal structure of zVDR L337H mutant-gemini complex
Descriptor: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
7PWY
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BU of 7pwy by Molmil
Structure of human dimeric ACMSD in complex with the inhibitor TES-1025
Descriptor: 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid, 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, POTASSIUM ION, ...
Authors:Cianci, M, Giacche, N, Carotti, A, Liscio, P, Amici, A, Cialabrini, L, De Franco, F, Pellicciari, R, Raffaelli, N.
Deposit date:2021-10-07
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Human Dimeric alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Inhibition With TES-1025.
Front Mol Biosci, 9, 2022
7Q32
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BU of 7q32 by Molmil
Mutant D24G of uridine phosphorylase from E. coli
Descriptor: CITRATE ANION, POTASSIUM ION, Uridine phosphorylase
Authors:Safonova, T, Polyakov, K, Antipov, A, Okorokova, N, Mordkovich, N, Veiko, V.
Deposit date:2021-10-26
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mutant D24G of uridine phosphorylase from E. coli
To Be Published
6YI8
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BU of 6yi8 by Molmil
HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Ostermann, N.
Deposit date:2020-04-01
Release date:2020-09-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
6MNY
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Crystal structure of mouse BTK kinase domain in complex with compound 9a
Descriptor: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
Authors:Han, S, Caspers, N, Ohren, J.O.
Deposit date:2018-10-03
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019

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