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1QKK
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BU of 1qkk by Molmil
Crystal structure of the receiver domain and linker region of DctD from Sinorhizobium meliloti
Descriptor: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Meyer, M.G, Park, S, Zeringue, L, Staley, M, Mckinstry, M, Kaufman, R.I, Zhang, H, Yan, D, Yennawar, N, Farber, G.K, Nixon, B.T.
Deposit date:1999-07-23
Release date:2000-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A dimeric two-component receiver domain inhibits the sigma54-dependent ATPase in DctD.
Faseb J., 15, 2001
4XV3
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BU of 4xv3 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
Descriptor: N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Zhang, C.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
Descriptor: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf
Authors:zhang, Y, zhang, c, wang, w.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV1
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BU of 4xv1 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
Descriptor: N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Zhang, C.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV2
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BU of 4xv2 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:zhang, Y, zhang, c.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
8SZZ
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BU of 8szz by Molmil
CryoEM Structure of Computationally Designed Nanocage O32-ZL4
Descriptor: O32-ZL4 Component A, O32-ZL4 Component B, SODIUM ION
Authors:Weidle, C, Borst, A.
Deposit date:2023-05-30
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8BXY
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BU of 8bxy by Molmil
FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bridot, C, Bouckaert, J, Krammer, E.-M.
Deposit date:2022-12-11
Release date:2023-04-12
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
8BY3
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BU of 8by3 by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-12-11
Release date:2023-04-12
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (3.186 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-CC
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
1ILW
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BU of 1ilw by Molmil
Crystal Structure of Pyrazinamidase/Nicotinamidase of Pyrococcus horikoshii
Descriptor: 180 aa long hypothetical Pyrazinamidase/nicotinamidase
Authors:Du, X, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2001-05-08
Release date:2001-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure and mechanism of catalysis of a pyrazinamidase from Pyrococcus horikoshii.
Biochemistry, 40, 2001
3OG7
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BU of 3og7 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
Descriptor: AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Authors:Zhang, Y, Zhang, K.Y, Zhang, C.
Deposit date:2010-08-16
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
7QUO
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BU of 7quo by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: FimH, NICKEL (II) ION, SULFATE ION, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-01-18
Release date:2023-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-10-15
Release date:2009-08-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3C4E
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BU of 3c4e by Molmil
Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
Descriptor: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4F
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BU of 3c4f by Molmil
FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole
Descriptor: 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine, Basic fibroblast growth factor receptor 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4C
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BU of 3c4c by Molmil
B-Raf Kinase in Complex with PLX4720
Descriptor: B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-28.3: A, T33-28.3: B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-18.2 : A, T33-18.2 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-27.1 : A, T33-27.1 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
4HW7
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BU of 4hw7 by Molmil
Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME
Descriptor: 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Zhang, Y, Zhang, C.
Deposit date:2012-11-07
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9001 Å)
Cite:Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HVS
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BU of 4hvs by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647
Descriptor: 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y, Zhang, C.
Deposit date:2012-11-06
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
6GOP
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BU of 6gop by Molmil
Yeast 20S Proteasome in complex with Homosalinosporamide A
Descriptor: CHLORIDE ION, Homosalinosporamide A - bound form, MAGNESIUM ION, ...
Authors:Groll, M, Romo, D.
Deposit date:2018-06-01
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:(-)-Homosalinosporamide A and Its Mode of Proteasome Inhibition: An X-ray Crystallographic Study.
Mar Drugs, 16, 2018
7KIS
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BU of 7kis by Molmil
Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA
Authors:Rajavel, M, van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.869 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-10-25
Release date:2021-01-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
8EK4
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BU of 8ek4 by Molmil
De novo designed ice-binding proteins from twist-constrained helices
Descriptor: Ice-binding protein TIP-99a
Authors:Bera, A.K, De Haas, R.J.
Deposit date:2022-09-19
Release date:2023-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:De novo designed ice-binding proteins from twist-constrained helices.
Proc.Natl.Acad.Sci.USA, 120, 2023

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数据于2024-10-16公开中

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