8RDK
 
 | | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | | Authors: | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human Haspin (GSG2) kinase bound to MD420
To Be Published
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8BB3
 | | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) | | 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 (1.8 Å) | | Cite: | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
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8BB2
 | | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) | | 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 (2.05 Å) | | Cite: | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
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8BEM
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8BFM
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331 | | Descriptor: | Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine | | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
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7QGJ
 | | Apo structure of BIR2 Domain of BIRC2 | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-08 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Apo structure BIR2 Domain of BIRC2
To Be Published
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8BFS
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 | | Descriptor: | 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... | | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
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8P08
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | Descriptor: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human CLK1 bound in complex with Leucettinib-21
To Be Published
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8P07
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
To Be Published
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8P06
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CSNK2A1 protein, SULFATE ION | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
To Be Published
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8PVO
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 | | Descriptor: | 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, CSNK2A1 protein, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-07-18 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5
To Be Published
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8PVP
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 | | Descriptor: | CSNK2A1 protein, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-07-18 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18
To Be Published
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8QWZ
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | | Descriptor: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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8QWY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | | Descriptor: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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6TCX
 | | Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis | | Descriptor: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Papain | | Authors: | Kraemer, A, Juettner, N.E, Fuchsbauer, H.-L, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-11-06 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Decoding the Papain Inhibitor from Streptomyces mobaraensis as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway.
J.Nat.Prod., 83, 2020
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7QGP
 | | STK10 (LOK) bound to Macrocycle CKJB51 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(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-heptaen-5-yl)urea, CHLORIDE ION, ... | | Authors: | Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | STK10 bound to CKJB51
To Be Published
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8BK0
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904 | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-08 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
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6ZIW
 | | The IRAK3 Pseudokinase Domain Bound To ATPgammaS | | Descriptor: | Interleukin-1 receptor-associated kinase 3, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Kraemer, A, Knapp, S. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The IRAK3 Pseudokinase Domain Bound To ATPgammaS
To Be Published
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6T6F
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275) | | Descriptor: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D | | Authors: | Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CAMK1D bound to CS275
To Be Published
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8QQY
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2 | | Authors: | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-06 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
To Be Published
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8R5B
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8R5D
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8R5C
 | | Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine | | Descriptor: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ... | | Authors: | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-11-16 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of human TRIM7 PRYSPRY domain
To Be Published
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5LI3
 | | Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor. | | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
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6GJK
 | | 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
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