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6W7M
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BU of 6w7m by Molmil
30S-Inactive-high-Mg2+ + carbon layer
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
Deposit date:2020-03-19
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
1XJI
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BU of 1xji by Molmil
Bacteriorhodopsin crystallized in bicelles at room temperature
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ...
Authors:Faham, S, Boulting, G.L, Massey, E.A, Yohannan, S, Yang, D, Bowie, J.U.
Deposit date:2004-09-23
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallization of bacteriorhodopsin from bicelle formulations at room temperature
Protein Sci., 14, 2005
6W9S
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BU of 6w9s by Molmil
Crystal structure of an OTU deubiquitinase from Escherichia albertii bound to ubiquitin
Descriptor: FORMIC ACID, OTU domain-containing protein EschOTU, Ubiquitin
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
6TBE
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BU of 6tbe by Molmil
LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate
Descriptor: 1,2-ETHANEDIOL, Microtubule-associated proteins 1A/1B light chain 3A, NOVOBIOCIN
Authors:Kramer, J.S, Pogoryelov, D, Hartmann, M, Chaikuad, A, Proschak, E.
Deposit date:2019-11-01
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67008042 Å)
Cite:Demonstrating Ligandability of the LC3A and LC3B Adapter Interface.
J.Med.Chem., 64, 2021
6TPT
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BU of 6tpt by Molmil
Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR
Descriptor: Receptor-type tyrosine-protein phosphatase F
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
1XMU
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BU of 1xmu by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast
Descriptor: 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1XOQ
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BU of 1xoq by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast
Descriptor: 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-06
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
6VRD
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BU of 6vrd by Molmil
Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, RNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*(AS)P*(SC)P*(SC)P*(SC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), ...
Authors:Cho, Y.-J, Butler, D.
Deposit date:2020-02-07
Release date:2021-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
1XQL
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BU of 1xql by Molmil
Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase
Descriptor: (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (R)-4-AMINO-ISOXAZOLIDIN-3-ONE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D.
Deposit date:2004-10-12
Release date:2005-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase
Biochemistry, 44, 2005
1XH5
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BU of 1xh5 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
2NV5
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BU of 2nv5 by Molmil
Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD)
Descriptor: PTPRD, PHOSPHATASE
Authors:Bonanno, J.B, Gilmore, J, Bain, K.T, Iizuka, M, Xu, W, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-11-10
Release date:2006-11-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
5SB8
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BU of 5sb8 by Molmil
Tubulin-maytansinoid-3-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBD
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BU of 5sbd by Molmil
Tubulin-maytansinoid-5b-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBA
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BU of 5sba by Molmil
Tubulin-maytansinoid-4b-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBE
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BU of 5sbe by Molmil
Tubulin-maytansinoid-5c-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBB
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BU of 5sbb by Molmil
Tubulin-maytansinoid-4c-complex
Descriptor: (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBC
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BU of 5sbc by Molmil
Tubulin-maytansinoid-5a-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SB9
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BU of 5sb9 by Molmil
Tubulin-maytansinoid-4a-complex
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
Deposit date:2021-07-20
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
6VR0
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BU of 6vr0 by Molmil
Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
Descriptor: GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION
Authors:Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C.
Deposit date:2020-02-06
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
To Be Published
1XUU
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BU of 1xuu by Molmil
Crystal structure of sialic acid synthase (NeuB) in complex with Mn2+ and Malate from Neisseria meningitidis
Descriptor: D-MALATE, MANGANESE (II) ION, polysialic acid capsule biosynthesis protein SiaC
Authors:Gunawan, J, Simard, D, Gilbert, M, Lovering, A.L, Wakarchuk, W.W, Tanner, M.E, Strynadka, N.C.
Deposit date:2004-10-26
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic analysis of sialic acid synthase NeuB from Neisseria meningitidis in complex with Mn2+, phosphoenolpyruvate, and N-acetylmannosaminitol.
J.Biol.Chem., 280, 2005
1XI8
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BU of 1xi8 by Molmil
Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001
Descriptor: Molybdenum cofactor biosynthesis protein
Authors:Zhou, W, Zhao, M, Chang, J.C, Liu, Z.-J, Chen, L, Horanyi, P, Xu, H, Yang, H, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-21
Release date:2004-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001
To be published
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
1XXM
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BU of 1xxm by Molmil
The modular architecture of protein-protein binding site
Descriptor: Beta-lactamase TEM, Beta-lactamase inhibitory protein, CALCIUM ION
Authors:Reichmann, D, Rahat, O, Albeck, S, Meged, R, Dym, O, Schreiber, G, Israel Structural Proteomics Center (ISPC)
Deposit date:2004-11-07
Release date:2005-01-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The modular architecture of protein-protein binding interfaces
Proc.Natl.Acad.Sci.USA, 102, 2005
7TPK
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BU of 7tpk by Molmil
SARS-CoV-2 E406W mutant RBD - Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Addetia, A, Veesler, D.
Deposit date:2022-01-25
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:SARS-CoV-2 E406W mutant RBD - Local Refinement
To Be Published
1XFN
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BU of 1xfn by Molmil
NMR structure of the ground state of the photoactive yellow protein lacking the N-terminal part
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Bernard, C, Houben, K, Derix, N.M, Marks, D, van der Horst, M.A, Hellingwerf, K.J, Boelens, R, Kaptein, R, van Nuland, N.A.
Deposit date:2004-09-15
Release date:2005-08-16
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The solution structure of a transient photoreceptor intermediate: delta25 photoactive yellow protein
STRUCTURE, 13, 2005

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