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3K2J
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BU of 3k2j by Molmil
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Descriptor: CHLORIDE ION, Protein polybromo-1, SULFATE ION
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
1CAX
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BU of 1cax by Molmil
DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT
Descriptor: CANAVALIN
Authors:Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A.
Deposit date:1993-06-10
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
4Y9M
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BU of 4y9m by Molmil
PA3825-EAL Metal-Free-Apo Structure
Descriptor: PA3825-EAL, PHOSPHATE ION
Authors:Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
3JTZ
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BU of 3jtz by Molmil
Structure of the arm-type binding domain of HPI integrase
Descriptor: Integrase, SODIUM ION
Authors:Szwagierczak, A, Antonenka, U, Popowicz, G.M, Sitar, T, Holak, T.A, Rakin, A.
Deposit date:2009-09-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the arm-type binding domains of HPI and HAI7 integrases
J.Biol.Chem., 284, 2009
6BK7
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BU of 6bk7 by Molmil
1.83 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-404) of Elongation Factor G from Enterococcus faecalis
Descriptor: Elongation factor G, SODIUM ION
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-07
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-404) of Elongation Factor G from Enterococcus faecalis.
To be Published
1CAW
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BU of 1caw by Molmil
DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT
Descriptor: CANAVALIN
Authors:Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A.
Deposit date:1993-06-02
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
4Y6N
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BU of 4y6n by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1
Descriptor: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ...
Authors:Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
Deposit date:2015-02-13
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Y9Q
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BU of 2y9q by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
Descriptor: MAP KINASE-INTERACTING SERINE/THREONINE-PROTEIN KINASE 1, MITOGEN-ACTIVATED PROTEIN KINASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Barkai, T, Garai, A, Toeroe, I, Remenyi, A.
Deposit date:2011-02-16
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
8AB1
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BU of 8ab1 by Molmil
Crystal structure of the PulL-PulM C-terminal domain heterocomplex
Descriptor: Type II secretion system protein L, Type II secretion system protein M
Authors:Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2022-07-04
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
5HKW
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BU of 5hkw by Molmil
Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
Descriptor: E3 ubiquitin-protein ligase CBL, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
To be published
5HL7
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BU of 5hl7 by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lefamulin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2016-01-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism.
Sci Rep, 6, 2016
4Y7F
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BU of 4y7f by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and 3-(phosphonooxy)propanoic acid (PPA) - GpgS Mn2+ UDP-Glc PPA
Descriptor: 1,2-ETHANEDIOL, 3-(phosphonooxy)propanoic acid, Glucosyl-3-phosphoglycerate synthase, ...
Authors:Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
Deposit date:2015-02-14
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.231 Å)
Cite:A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y7G
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BU of 4y7g by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and glycerol 3-phosphate (G3P) - GpgS Mn2+ UDP-Glc G3P
Descriptor: Glucosyl-3-phosphoglycerate synthase, MANGANESE (II) ION, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
Deposit date:2015-02-14
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Y8O
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BU of 2y8o by Molmil
Crystal structure of human p38alpha complexed with a MAPK docking peptide
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Barkai, T, Garai, A, Toeroe, I, Remenyi, A.
Deposit date:2011-02-08
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
4Y9O
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BU of 4y9o by Molmil
PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation
Descriptor: PA3825-EAL, PHOSPHATE ION
Authors:Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
Deposit date:2015-02-17
Release date:2016-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
193L
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BU of 193l by Molmil
THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME
Descriptor: CHLORIDE ION, LYSOZYME, SODIUM ION
Authors:Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
3KEG
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BU of 3keg by Molmil
X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED
Descriptor: 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ...
Authors:Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E.
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
4AH7
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BU of 4ah7 by Molmil
Structure of Wild Type Stapylococcus aureus N-acetylneuraminic acid lyase in complex with pyruvate
Descriptor: N-ACETYLNEURAMINATE LYASE
Authors:Timms, N, Poyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Pearson, A.R, Berry, A.
Deposit date:2012-02-03
Release date:2013-01-23
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy.
Chembiochem, 14, 2013
4YH7
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BU of 4yh7 by Molmil
Crystal structure of PTPdelta ectodomain in complex with IL1RAPL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein-like 1, ...
Authors:Yamagata, A, Fukai, S.
Deposit date:2015-02-27
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
8IL1
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BU of 8il1 by Molmil
Free Thanatin IM14
Descriptor: Free IM14
Authors:Swaleeha, A, Bhattacharyya, S.
Deposit date:2023-03-01
Release date:2024-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Free Thanatin IM14
To Be Published
7YC7
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BU of 7yc7 by Molmil
Dark, fully reduced structure of the MmCPDII-DNA complex as produced at SwissFEL
Descriptor: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2022-07-01
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
7YD7
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BU of 7yd7 by Molmil
TR-SFX MmCPDII-DNA complex: 1 ns snapshot. Includes 1 ns, dark, and extrapolated structure factors
Descriptor: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2022-07-04
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
7YCM
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BU of 7ycm by Molmil
TR-SFX MmCPDII-DNA complex: 100 ps snapshot. Includes 100ps, dark, and extrapolated structure factors
Descriptor: CPD photolesion containing DNA, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2022-07-01
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
3L2B
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BU of 3l2b by Molmil
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate
Descriptor: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase
Authors:Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R.
Deposit date:2009-12-15
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 2010
7YCR
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BU of 7ycr by Molmil
TR-SFX MmCPDII-DNA complex: 450 ps snapshot. Includes 450ps, dark, and extrapolated structure factors
Descriptor: CPD photolesion containing DNA, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2022-07-01
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023

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