2XU8
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![BU of 2xu8 by Molmil](/molmil-images/mine/2xu8) | Structure of Pa1645 | Descriptor: | PA1645, SULFATE ION | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | Deposit date: | 2010-10-15 | Release date: | 2010-12-29 | Last modified: | 2015-08-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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4NFA
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![BU of 4nfa by Molmil](/molmil-images/mine/4nfa) | Structure of the C-terminal doamin of Knl1 | Descriptor: | CHLORIDE ION, GLYCEROL, Protein CASC5 | Authors: | Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization. Mol.Cell, 53, 2014
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109D
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![BU of 109d by Molmil](/molmil-images/mine/109d) | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | Deposit date: | 1995-02-15 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2. Nucleic Acids Res., 23, 1995
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4NO6
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![BU of 4no6 by Molmil](/molmil-images/mine/4no6) | yCP in complex with Z-Leu-Leu-Leu-vinylsulfone | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NEH
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![BU of 4neh by Molmil](/molmil-images/mine/4neh) | An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 | Descriptor: | 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, ... | Authors: | Sen, M, Yuki, K, Springer, T.A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7505 Å) | Cite: | An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2. J.Cell Biol., 203, 2013
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1L9C
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![BU of 1l9c by Molmil](/molmil-images/mine/1l9c) | Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric Sarcosine Oxidase, ... | Authors: | Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S. | Deposit date: | 2002-03-22 | Release date: | 2002-08-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Monomeric sarcosine oxidase: role of histidine 269 in catalysis. Biochemistry, 41, 2002
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6WBX
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![BU of 6wbx by Molmil](/molmil-images/mine/6wbx) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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7JVM
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4NMH
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![BU of 4nmh by Molmil](/molmil-images/mine/4nmh) | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | Descriptor: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | Deposit date: | 2013-11-15 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1) TO BE PUBLISHED
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4NO8
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![BU of 4no8 by Molmil](/molmil-images/mine/4no8) | yCP in complex with Z-Leu-Leu-Leu-ketoamide | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NMY
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![BU of 4nmy by Molmil](/molmil-images/mine/4nmy) | Crystal Structure of the Thiamin-bound form of Substrate-binding Protein of ABC Transporter from Clostridium difficile | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ABC-type transport system, extracellular solute-binding protein | Authors: | Kim, Y, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-11-15 | Release date: | 2013-12-04 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Crystal Structure of the Thiamin-bound form of Substrate-binding Protein of ABC Transporter from Clostridium difficile To be Published
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6WBY
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![BU of 6wby by Molmil](/molmil-images/mine/6wby) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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4NVB
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4NVM
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4O0O
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![BU of 4o0o by Molmil](/molmil-images/mine/4o0o) | Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with 5-fluorouracil at 2.59 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-FLUOROURACIL, GLYCEROL, ... | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-12-14 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with 5-fluorouracil at 2.59 A resolution To be Published
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4NZP
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![BU of 4nzp by Molmil](/molmil-images/mine/4nzp) | The crystal structure of argininosuccinate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168 | Descriptor: | Argininosuccinate synthase | Authors: | Tan, K, Gu, M, Zhang, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | The crystal structure of argininosuccinate synthase from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published
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4O0M
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![BU of 4o0m by Molmil](/molmil-images/mine/4o0m) | Crystal structure of T. Elongatus BP-1 Clock Protein KaiC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Pattanayek, R, Egli, M. | Deposit date: | 2013-12-13 | Release date: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | An arginine tetrad as mediator of input-dependent and
input-independent ATPases in the clock protein KaiC Acta Crystallogr.,Sect.D, D70, 2014
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1L9D
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![BU of 1l9d by Molmil](/molmil-images/mine/1l9d) | Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase, ... | Authors: | Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S. | Deposit date: | 2002-03-22 | Release date: | 2002-08-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Monomeric sarcosine oxidase: role of histidine 269 in catalysis. Biochemistry, 41, 2002
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4NBY
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![BU of 4nby by Molmil](/molmil-images/mine/4nby) | Crystal Structure of TcdA-A2 Bound to Two Molecules of A20.1 VHH | Descriptor: | A20.1 VHH, Cell wall-binding repeat protein | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E, Klassen, J.S, Ng, K.K.S. | Deposit date: | 2013-10-23 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile. J.Biol.Chem., 289, 2014
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4NC7
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![BU of 4nc7 by Molmil](/molmil-images/mine/4nc7) | N-terminal domain of delta-subunit of RNA polymerase complexed with I3C and nickel ions | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, DNA-directed RNA polymerase subunit delta, NICKEL (II) ION | Authors: | Demo, G, Papouskova, V, Komarek, J, Sanderova, H, Rabatinova, A, Krasny, L, Zidek, L, Sklenar, V, Wimmerova, M. | Deposit date: | 2013-10-24 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray vs. NMR structure of N-terminal domain of delta-subunit of RNA polymerase. J.Struct.Biol., 187, 2014
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4NCZ
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![BU of 4ncz by Molmil](/molmil-images/mine/4ncz) | Spermidine N-acetyltransferase from Vibrio cholerae in complex with 2-[n-cyclohexylamino]ethane sulfonate. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, SODIUM ION, ... | Authors: | Osipiuk, J, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-25 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
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4NE4
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![BU of 4ne4 by Molmil](/molmil-images/mine/4ne4) | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ... | Authors: | Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-28 | Release date: | 2013-11-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB To be Published
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4NEG
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![BU of 4neg by Molmil](/molmil-images/mine/4neg) | The crystal structure of tryptophan synthase subunit beta from Bacillus anthracis str. 'Ames Ancestor' | Descriptor: | FORMIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Zhang, R, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-29 | Release date: | 2013-11-13 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | The crystal structure of tryptophan synthase subunit beta from Bacillus anthracis str. 'Ames Ancestor' To be Published
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4NF9
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![BU of 4nf9 by Molmil](/molmil-images/mine/4nf9) | Structure of the Knl1/Nsl1 complex | Descriptor: | CHLORIDE ION, Kinetochore-associated protein NSL1 homolog, Protein CASC5 | Authors: | Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization. Mol.Cell, 53, 2014
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4NEN
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![BU of 4nen by Molmil](/molmil-images/mine/4nen) | An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sen, M, Yuki, K, Springer, T.A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9012 Å) | Cite: | An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2. J.Cell Biol., 203, 2013
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