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1OK2
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BU of 1ok2 by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
Descriptor: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJW
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BU of 1ojw by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
Descriptor: COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, SULFATE ION
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK3
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BU of 1ok3 by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
Descriptor: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJY
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BU of 1ojy by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
Descriptor: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK9
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BU of 1ok9 by Molmil
Decay accelerating factor (CD55): The structure of an intact human complement regulator.
Descriptor: ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-21
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJV
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BU of 1ojv by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
Descriptor: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK1
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BU of 1ok1 by Molmil
Decay accelerating factor (cd55) : the structure of an intact human complement regulator.
Descriptor: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
Authors:Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
Deposit date:2003-07-16
Release date:2004-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
7BK3
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BU of 7bk3 by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 45
Descriptor: 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-15
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJD
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BU of 7bjd by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 3
Descriptor: 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BKO
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BU of 7bko by Molmil
Crystal structure of CHK1 complex with compound 9
Descriptor: 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1
Authors:Baker, L.M, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-16
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJH
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BU of 7bjh by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 8
Descriptor: CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJM
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BU of 7bjm by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 10
Descriptor: 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJR
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BU of 7bjr by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 18
Descriptor: 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJX
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BU of 7bjx by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 26
Descriptor: 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJJ
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BU of 7bjj by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 9
Descriptor: 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BK1
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BU of 7bk1 by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 32
Descriptor: 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-15
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BKN
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BU of 7bkn by Molmil
Crystal structure of CHK1 complex with adenine
Descriptor: ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Baker, L.M, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-16
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJO
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BU of 7bjo by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 13
Descriptor: 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BK2
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BU of 7bk2 by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 44
Descriptor: 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-15
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
7BJE
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BU of 7bje by Molmil
Crystal structure of CHK1-10pt-mutant complex with adenine
Descriptor: ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-14
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
5OP4
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BU of 5op4 by Molmil
Structure of CHK1 10-pt. mutant complex with aminopyrimidine LRRK2 inhibitor
Descriptor: Serine/threonine-protein kinase Chk1, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
Authors:Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPS
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BU of 5ops by Molmil
Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
Descriptor: 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOR
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BU of 5oor by Molmil
Structure of CHK1 10-pt. mutant complex with staurosporine
Descriptor: CHLORIDE ION, STAUROSPORINE, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
Deposit date:2017-08-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ7
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BU of 5oq7 by Molmil
Structure of CHK1 8-pt. mutant complex with arylbenzamide LRRK2 inhibitor
Descriptor: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPR
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BU of 5opr by Molmil
Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor
Descriptor: 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017

 

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