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1HH9
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BU of 1hh9 by Molmil
ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE
Descriptor: IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-2
Authors:Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W.
Deposit date:2000-12-21
Release date:2001-01-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
1HH6
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BU of 1hh6 by Molmil
ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE
Descriptor: IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-4
Authors:Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W.
Deposit date:2000-12-21
Release date:2001-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
4JZY
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BU of 4jzy by Molmil
Crystal structures of Drosophila Cryptochrome
Descriptor: AMMONIUM ION, Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Czarna, A, Wolf, E.
Deposit date:2013-04-03
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Cell(Cambridge,Mass.), 153, 2013
4K03
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BU of 4k03 by Molmil
Crystal structure of Drosophila Cryprochrome
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Berndt, A, Wolf, E.
Deposit date:2013-04-03
Release date:2013-06-26
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Cell(Cambridge,Mass.), 153, 2013
4K0R
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BU of 4k0r by Molmil
Crystal structure of mouse Cryptochrome 1
Descriptor: Cryptochrome-1
Authors:Czarna, A, Wolf, E.
Deposit date:2013-04-04
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Cell(Cambridge,Mass.), 153, 2013
6GJK
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BU of 6gjk by Molmil
A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase
Descriptor: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ...
Authors:Kraemer, A, Meyer-Almes, F.J.
Deposit date:2018-05-16
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Biochim Biophys Acta Gen Subj, 1863, 2019
2M09
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BU of 2m09 by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-22
Release date:2013-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
2M0G
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BU of 2m0g by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1, Splicing factor U2AF 65 kDa subunit
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-25
Release date:2013-01-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
7QUE
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BU of 7que by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CKJB68
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
7QUF
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BU of 7quf by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CK156
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
8BIO
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BU of 8bio by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
7Q8T
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BU of 7q8t by Molmil
Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
Descriptor: Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
Authors:Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta Pharm Sin B, 13, 2023
6Z83
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BU of 6z83 by Molmil
CK2 alpha bound to chemical probe SGC-CK2-1
Descriptor: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-02
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
6Z84
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BU of 6z84 by Molmil
CK2 alpha bound to chemical probe SGC-CK2-1 derivative
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
Authors:Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-02
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
4CT0
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BU of 4ct0 by Molmil
Crystal Structure of Mouse Cryptochrome1 in Complex with Period2
Descriptor: CHLORIDE ION, CRYPTOCHROME-1, HEXAETHYLENE GLYCOL, ...
Authors:Schmalen, I, Rajan Prabu, J, Benda, C, Wolf, E.
Deposit date:2014-03-11
Release date:2014-06-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Interaction of Circadian Clock Proteins Cry1 and Per2 is Modulated by Zinc Binding and Disulfide Bond Formation.
Cell(Cambridge,Mass.), 157, 2014
4DJ3
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BU of 4dj3 by Molmil
Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function
Descriptor: Period circadian protein homolog 3
Authors:Wolf, E, Kucera, N, Hennig, S.
Deposit date:2012-02-01
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012
6Y4U
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BU of 6y4u by Molmil
Crystal structure of p38 in complex with SR65
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6Y4T
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BU of 6y4t by Molmil
Crystal structure of p38 in complex with SR63.
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6Y4X
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BU of 6y4x by Molmil
Crystal structure of p38 in complex with SR72
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6Y4V
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BU of 6y4v by Molmil
Crystal structure of p38 in complex with SR68
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6YK7
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BU of 6yk7 by Molmil
Crystal structure of p38 in complex with SR43
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-05
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6Y4W
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BU of 6y4w by Molmil
Crystal structure of p38 in complex with SR69
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
8BB5
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BU of 8bb5 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8BB4
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BU of 8bb4 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker
Descriptor: Elongin-B, Elongin-C, WD repeat-containing protein 5, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023

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