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8BB2
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BU of 8bb2 by Molmil
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
8BB3
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BU of 8bb3 by Molmil
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
8BEM
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BU of 8bem by Molmil
STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
Descriptor: STE20-like serine/threonine-protein kinase, SULFATE ION, TIVOZANIB
Authors:Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
To Be Published
8BFM
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BU of 8bfm by Molmil
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
7QGJ
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BU of 7qgj by Molmil
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
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Apo structure BIR2 Domain of BIRC2
To Be Published
8BFS
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BU of 8bfs by Molmil
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
9FYF
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BU of 9fyf by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-07-03
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
To Be Published
9FLQ
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BU of 9flq by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU1959
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, ...
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human Haspin (GSG2) kinase bound to MU1959
To Be Published
9I2Y
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BU of 9i2y by Molmil
Human DHODH in Complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2025-01-22
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Human DHODH in Complex with QC6352
To Be Published
9EZ3
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BU of 9ez3 by Molmil
Crystal structure of human CLK3 bound to RN129
Descriptor: 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION
Authors:Kraemer, A, Raig, N, Knapp, S.
Deposit date:2024-04-10
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human CLK3 bound to RN129
To Be Published
8QWZ
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BU of 8qwz by Molmil
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
8QWY
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BU of 8qwy by Molmil
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
6TCX
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BU of 6tcx by Molmil
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:2024-10-09
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
9QBA
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BU of 9qba by Molmil
Human TRIM21 PRYSPRY domain in complex with AL236
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, ~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide
Authors:Kim, Y, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2025-03-01
Release date:2025-03-12
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Human TRIM21 PRYSPRY domain in complex with AL236
To Be Published
6ZIW
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BU of 6ziw by Molmil
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
7QGP
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BU of 7qgp by Molmil
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:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:STK10 bound to CKJB51
To Be Published
8BK0
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BU of 8bk0 by Molmil
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
9HIN
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BU of 9hin by Molmil
Crystal structure of human TRIM7 PRYSPRY domain bound to ((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine
Descriptor: ((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ...
Authors:Lenz, C, Haman, A, Spissinger, H, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-26
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human TRIM7 PRYSPRY domain bound to ((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine
To Be Published
6T6F
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BU of 6t6f by Molmil
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
8R5B
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BU of 8r5b by Molmil
Crystal structure of human TRIM7 PRYSPRY domain bound to (3-phenoxybenzoyl)-L-glutamine
Descriptor: (2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid, ACETIC ACID, 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 bound to (3-phenoxybenzoyl)-L-glutamine
To Be Published
7HLP
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BU of 7hlp by Molmil
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z29634868
Descriptor: 1,2-ETHANEDIOL, 2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate, E3 ubiquitin-protein ligase TRIM21, ...
Authors:Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-04
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HM5
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BU of 7hm5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z192955056
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, SULFATE ION, ...
Authors:Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-04
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HMK
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BU of 7hmk by Molmil
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z271004858
Descriptor: 1,2-ETHANEDIOL, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, E3 ubiquitin-protein ligase TRIM21, ...
Authors:Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-04
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HN1
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BU of 7hn1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2065616520
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N-ethyl-1-(pyridin-4-yl)piperidin-4-amine, ...
Authors:Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-04
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HNH
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BU of 7hnh by Molmil
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2643472210
Descriptor: 1,2-ETHANEDIOL, 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2024-11-04
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:PanDDA analysis group deposition
To Be Published

238582

數據於2025-07-09公開中

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