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1B06
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BU of 1b06 by Molmil
SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS
Descriptor: FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE)
Authors:Knapp, S, Kardinahl, S, Niklas, H, Tibbelin, G, Schafer, G, Ladenstein, R.
Deposit date:1998-11-16
Release date:1999-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined crystal structure of a superoxide dismutase from the hyperthermophilic archaeon Sulfolobus acidocaldarius at 2.2 A resolution.
J.Mol.Biol., 285, 1999
1B26
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BU of 1b26 by Molmil
GLUTAMATE DEHYDROGENASE
Descriptor: GLUTAMATE DEHYDROGENASE
Authors:Knapp, S, Devos, W.M, Rice, D, Ladenstein, R.
Deposit date:1998-12-04
Release date:1999-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
1XWS
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BU of 1xws by Molmil
Crystal Structure of the human PIM1 kinase domain
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
Authors:Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
Deposit date:2004-11-02
Release date:2004-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human PIM1 kinase domain
To be Published
2BIK
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BU of 2bik by Molmil
Human Pim1 phosphorylated on Ser261
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
Deposit date:2005-01-22
Release date:2005-02-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Pim1 Phosphorylated on Ser261
To be Published
2BIL
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BU of 2bil by Molmil
The human protein kinase Pim1 in complex with its consensus peptide Pimtide
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
Deposit date:2005-01-22
Release date:2005-02-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
1B3B
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BU of 1b3b by Molmil
THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K
Descriptor: PROTEIN (GLUTAMATE DEHYDROGENASE)
Authors:Knapp, S, Lebbink, J.H.G, Van Der Oost, J, Devos, W.M, Rice, D, Ladenstein, R.
Deposit date:1998-12-07
Release date:1999-12-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
6QXK
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BU of 6qxk by Molmil
Human PIM1 bound to OX0999
Descriptor: 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2019-03-07
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PIM1 bound to OX0999
To Be Published
2TMG
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BU of 2tmg by Molmil
THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E
Descriptor: PROTEIN (GLUTAMATE DEHYDROGENASE)
Authors:Knapp, S, Lebbink, J.H.G, van der Oost, J, de Vos, W.M, Rice, D, Ladenstein, R.
Deposit date:1998-12-04
Release date:1999-12-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.
J.Mol.Biol., 289, 1999
1BBX
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BU of 1bbx by Molmil
NON-SPECIFIC PROTEIN-DNA INTERACTIONS IN THE SSO7D-DNA COMPLEX, NMR, 1 STRUCTURE
Descriptor: DNA (5'-D(*CP*TP*AP*GP*CP*GP*CP*GP*CP*TP*AP*G)-3'), DNA-BINDING PROTEIN 7D
Authors:Agback, P, Baumann, H, Knapp, S, Ladenstein, R, Hard, T.
Deposit date:1998-04-24
Release date:1998-10-14
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Architecture of Nonspecific Protein-DNA Interactions in the Sso7D-DNA Complex
Nat.Struct.Biol., 5, 1998
8AAU
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BU of 8aau by Molmil
LIM Domain Kinase 1 (LIMK1) bound to LIMKi3
Descriptor: 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ...
Authors:Mathea, S, Salah, E, Hanke, T, Knapp, S.
Deposit date:2022-07-03
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
4USD
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BU of 4usd by Molmil
Human STK10 (LOK) with SB-633825
Descriptor: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4USF
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BU of 4usf by Molmil
Human SLK with SB-440719
Descriptor: 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4V24
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BU of 4v24 by Molmil
Sphingosine kinase 1 in complex with PF-543
Descriptor: ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
Authors:Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A.
Deposit date:2014-10-05
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
Descriptor: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
Descriptor: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
Authors:Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2014-09-04
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
4W9X
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BU of 4w9x by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
Descriptor: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
Descriptor: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
Authors:Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-27
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Soluble epoxide hydrolase in complex with Epoxykinin
To Be Published
8S3X
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BU of 8s3x by Molmil
LIM Domain Kinase 2 (LIMK2) bound to compound 52
Descriptor: 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2
Authors:Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S.
Deposit date:2024-02-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:LIM Domain Kinase 2 (LIMK2) bound to compound 52
To Be Published
1SSO
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BU of 1sso by Molmil
SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS
Descriptor: SSO7D
Authors:Baumann, H, Knapp, S, Lundback, T, Ladenstein, R, Hard, T.
Deposit date:1995-03-31
Release date:1995-05-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure and DNA-binding properties of a thermostable protein from the archaeon Sulfolobus solfataricus.
Nat.Struct.Biol., 1, 1994
7Z3X
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BU of 7z3x by Molmil
Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*T)-3'), DNA (5'-D(P*GP*TP*())-3'), ...
Authors:Ni, X, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-03-02
Release date:2022-11-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
To Be Published
5T4U
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BU of 5t4u by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin
Authors:Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
5T4V
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BU of 5t4v by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand
Descriptor: 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ...
Authors:Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
1VYH
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BU of 1vyh by Molmil
PAF-AH Holoenzyme: Lis1/Alfa2
Descriptor: PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB ALPHA SUBUNIT, PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB BETA SUBUNIT
Authors:Tarricone, C, Perrina, F, Monzani, S, Massimiliano, L, Knapp, S, Tsai, L.-H, Derewenda, Z.S, Musacchio, A.
Deposit date:2004-04-30
Release date:2005-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Coupling Paf Signaling to Dynein Regulation: Structure of Lis1 in Complex with Paf-Acetylhydrolase.
Neuron, 44, 2004
8E04
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BU of 8e04 by Molmil
Structure of monomeric LRRK1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
Authors:Reimer, J.M, Mathea, S, Chatterjee, D, Knapp, S, Leschziner, A.E.
Deposit date:2022-08-08
Release date:2023-08-30
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nat.Struct.Mol.Biol., 30, 2023
5TB6
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BU of 5tb6 by Molmil
Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment
Descriptor: 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2016-09-11
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016

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