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PDB: 152 results

5PAK
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BU of 5pak by Molmil
Crystal Structure of Factor VIIa in complex with N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide;hydrochloride
Descriptor: (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de, CALCIUM ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB5
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BU of 5pb5 by Molmil
human factor VIIa in complex with 1-[[3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 1.84A
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-16
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAM
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BU of 5pam by Molmil
Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Descriptor: (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAQ
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BU of 5paq by Molmil
Crystal Structure of Factor VIIa in complex with 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Descriptor: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAJ
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BU of 5paj by Molmil
Crystal Structure of Factor VIIa in complex with 1-(1-aminoisoquinolin-6-yl)-3-benzylurea
Descriptor: 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB4
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BU of 5pb4 by Molmil
human factor VIIa in complex with 1-[[3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 2.43A
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-16
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAX
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BU of 5pax by Molmil
Crystal Structure of Factor VIIa in complex with 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea
Descriptor: 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PB2
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BU of 5pb2 by Molmil
Crystal Structure of Factor VIIa in complex with 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol
Descriptor: 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-16
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAC
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BU of 5pac by Molmil
human factor VIIa in complex with 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide at 1.50A
Descriptor: 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAS
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BU of 5pas by Molmil
Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
Descriptor: (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAT
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BU of 5pat by Molmil
Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide
Descriptor: Coagulation factor VII heavy chain, Coagulation factor VII light chain, N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAG
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BU of 5pag by Molmil
Crystal Structure of Factor VIIa in complex with (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide;hydrobromide
Descriptor: (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5PAW
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BU of 5paw by Molmil
Crystal Structure of Factor VIIa in complex with isoquinoline-1,6-diamine
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
5SAW
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BU of 5saw by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6%
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAY
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BU of 5say by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 2.190A, P1211, Rfree=27.7%
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAX
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BU of 5sax by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAU
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BU of 5sau by Molmil
DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1%
Descriptor: 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, Epithelial discoidin domain-containing receptor 1, MALONATE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB0
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BU of 5sb0 by Molmil
DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6%
Descriptor: CHLORIDE ION, Epithelial discoidin domain-containing receptor 1, IODIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB1
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BU of 5sb1 by Molmil
DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4%
Descriptor: 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAZ
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BU of 5saz by Molmil
DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2%
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB2
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BU of 5sb2 by Molmil
DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2%
Descriptor: 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAV
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BU of 5sav by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A, P212121, Rfree=23.5%
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5S9M
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BU of 5s9m by Molmil
AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, 1.80A, P212121, Rfree=21.1%
Descriptor: (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
5S9L
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BU of 5s9l by Molmil
AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1.90A, P212121, Rfree=19.1%
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
5S9N
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BU of 5s9n by Molmil
AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3%
Descriptor: CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published

221051

数据于2024-06-12公开中

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