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3V55
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BU of 3v55 by Molmil
Human MALT1 (334-719) in its ligand free form
分子名称: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M, Wiesmann, C.
登録日2011-12-16
公開日2012-03-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
5FCR
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BU of 5fcr by Molmil
MOUSE COMPLEMENT FACTOR D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Complement factor D, DIMETHYL SULFOXIDE, ...
著者Mac Sweeney, A.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FBE
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BU of 5fbe by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2
分子名称: Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
著者Ostermann, N, Zink, F.
登録日2015-12-14
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FAH
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BU of 5fah by Molmil
KALLIKREIN-7 IN COMPLEX WITH COMPOUND1
分子名称: (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide, ACETATE ION, Kallikrein-7
著者Ostermann, N, Zink, F.
登録日2015-12-11
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FCK
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BU of 5fck by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5
分子名称: 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION
著者Mac Sweeney, A.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FBI
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BU of 5fbi by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b
分子名称: 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL
著者Ostermann, N, Zink, F.
登録日2015-12-14
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
3EDG
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BU of 3edg by Molmil
Crystal structure of bone morphogenetic protein 1 protease domain
分子名称: ACETYL GROUP, Bone morphogenetic protein 1, ZINC ION
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
3EDI
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BU of 3edi by Molmil
Crystal structure of tolloid-like protease 1 (TLL-1) protease domain
分子名称: ACETYL GROUP, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
3EDH
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BU of 3edh by Molmil
Crystal structure of bone morphogenetic protein 1 protease domain in complex with partially bound DMSO
分子名称: ACETYL GROUP, Bone morphogenetic protein 1, DIMETHYL SULFOXIDE, ...
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
5M5Q
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BU of 5m5q by Molmil
COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one, COP9 signalosome complex subunit 5, ...
著者Renatus, M, Altmann, E.
登録日2016-10-22
公開日2017-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Azaindoles as Zinc-Binding Small-Molecule Inhibitors of the JAMM Protease CSN5.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MT0
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BU of 5mt0 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR
分子名称: 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
5MT4
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BU of 5mt4 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
分子名称: 2-[(phenylmethyl)carbamoylamino]benzoic acid, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
6FTY
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BU of 6fty by Molmil
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5
分子名称: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL
著者Ostermann, N.
登録日2018-02-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
6H4A
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BU of 6h4a by Molmil
Human MALT1(329-728) in complex with MLT-748
分子名称: 1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M, Renatus, M.
登録日2018-07-20
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
6YN8
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BU of 6yn8 by Molmil
Human MALT1(334-719) in complex with a tetrazole containing compound
分子名称: 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M.
登録日2020-04-11
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
7ALV
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BU of 7alv by Molmil
Crystal Structure of NLRP3 NACHT domain in complex with a potent inhibitor
分子名称: 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
著者Dekker, C, Hinniger, A.
登録日2020-10-07
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献Crystal Structure of NLRP3 NACHT Domain With an Inhibitor Defines Mechanism of Inflammasome Inhibition.
J.Mol.Biol., 433, 2021
6F7I
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BU of 6f7i by Molmil
human MALT1(329-728) IN COMPLEX WITH MLT-747
分子名称: 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ...
著者Renatus, M, Renatus, M.
登録日2017-12-09
公開日2019-01-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
6FTZ
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BU of 6ftz by Molmil
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6
分子名称: Complement factor D, ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide
著者Ostermann, N.
登録日2018-02-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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