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7JGV
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BU of 7jgv by Molmil
CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2
分子名称: 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F.
登録日2020-07-19
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
7JGW
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Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1
分子名称: 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F.
登録日2020-07-19
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
7K02
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BU of 7k02 by Molmil
The crystal structure of a BAK dimer activated by detergent
分子名称: Bcl-2 homologous antagonist/killer
著者Birkinshaw, R.W, Czabotar, P.E.
登録日2020-09-02
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of detergent-activated BAK dimers derived from the inert monomer.
Mol.Cell, 81, 2021
4TLN
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BU of 4tln by Molmil
BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS
分子名称: CALCIUM ION, L-LEUCYL-HYDROXYLAMINE, THERMOLYSIN, ...
著者Matthews, B.W, Holmes, M.A.
登録日1982-02-08
公開日1982-05-26
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis.
Biochemistry, 20, 1981
6TMN
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BU of 6tmn by Molmil
Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond
分子名称: CALCIUM ION, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, THERMOLYSIN, ...
著者Tronrud, D.E, Holden, H.M, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.
Science, 235, 1987
5TMN
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BU of 5tmn by Molmil
Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues
分子名称: CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ...
著者Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
8TLN
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BU of 8tln by Molmil
STRUCTURAL COMPARISON SUGGESTS THAT THERMOLYSIN AND RELATED NEUTRAL PROTEASES UNDERGO HINGE-BENDING MOTION DURING CATALYSIS
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
著者Tronrud, D, Matthews, B.W.
登録日1993-09-01
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis.
Biochemistry, 31, 1992
2FB4
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BU of 2fb4 by Molmil
DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN)
分子名称: IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN)
著者Marquart, M, Huber, R.
登録日1989-04-18
公開日1989-07-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I
Biol.Chem.Hoppe-Seyler, 370, 1989
2TMN
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BU of 2tmn by Molmil
CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
分子名称: CALCIUM ION, N~2~-phosphono-L-leucinamide, Thermolysin, ...
著者Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
2IG2
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BU of 2ig2 by Molmil
DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN)
分子名称: IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN)
著者Marquart, M, Huber, R.
登録日1989-04-18
公開日1989-07-12
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I
Biol.Chem.Hoppe-Seyler, 370, 1989
3TMN
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BU of 3tmn by Molmil
THE BINDING OF L-VALYL-L-TRYPTOPHAN TO CRYSTALLINE THERMOLYSIN ILLUSTRATES THE MODE OF INTERACTION OF A PRODUCT OF PEPTIDE HYDROLYSIS
分子名称: CALCIUM ION, THERMOLYSIN, TRYPTOPHAN, ...
著者Holden, H.M, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The binding of L-valyl-L-tryptophan to crystalline thermolysin illustrates the mode of interaction of a product of peptide hydrolysis.
J.Biol.Chem., 263, 1988
1TLP
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BU of 1tlp by Molmil
CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
分子名称: CALCIUM ION, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, THERMOLYSIN, ...
著者Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
1TMN
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BU of 1tmn by Molmil
Binding of n-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography. a novel class of transition-state analogues for zinc peptidases
分子名称: CALCIUM ION, N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan, THERMOLYSIN, ...
著者Monzingo, A.F, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by X-ray crystallography: a novel class of transition-state analogues for zinc peptidases
Biochemistry, 23, 1984
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
分子名称: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
著者Fairlie, W.D, Lee, E.F, Smith, B.J.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FMI
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BU of 5fmi by Molmil
Human Bak Q77L
分子名称: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION
著者Fairlie, W.D, Lee, E.F, Smith, B.J.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
7N9L
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BU of 7n9l by Molmil
KirBac3.1 C71S C262S
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION, ...
著者Gulbis, J.M, Black, K.A.
登録日2021-06-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
7N9K
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BU of 7n9k by Molmil
KirBac3.1 L124M mutant
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ...
著者Black, T.A, Gulbis, J.M.
登録日2021-06-18
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
5TLN
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BU of 5tln by Molmil
BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS
分子名称: CALCIUM ION, HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE, THERMOLYSIN, ...
著者Matthews, B.W, Holmes, M.A.
登録日1982-02-08
公開日1982-05-26
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis.
Biochemistry, 20, 1981
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
2QWF
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THE X-RAY STRUCTURE OF A COMPLEX OF N-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWK
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THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWA
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THE X-RAY STRUCTURE OF A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWJ
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THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWH
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THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWG
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THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid, ...
著者Varghese, J.N.
登録日1998-04-07
公開日1998-11-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998

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