4MGJ
 
 | | Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
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4LO6
 | | HA70-alpha2,6-SiaLC | | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO7
 | | HA70(D3)-HA17-HA33 | | Descriptor: | HA-17, HA-33, HA-70 | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.73 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LSF
 | | Ion selectivity of OmpF soaked in 0.1M KBr | | Descriptor: | BROMIDE ION, GLYCEROL, Outer membrane protein F | | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | | Deposit date: | 2013-07-22 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
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4LTN
 | | Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN, NADH complex | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, ... | | Authors: | Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
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4LVB
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4M78
 | | Crystal structure of Lsm2-8 complex, space group P21 | | Descriptor: | U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3, U6 snRNA-associated Sm-like protein LSm4, ... | | Authors: | Zhou, L, Hang, J, Zhou, Y, Wan, R, Lu, G, Yan, C, Shi, Y. | | Deposit date: | 2013-08-12 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal structures of the Lsm complex bound to the 3' end sequence of U6 small nuclear RNA.
Nature, 506, 2014
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4LS2
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 | | Descriptor: | 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | | Deposit date: | 2013-07-21 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
To be Published
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4M03
 | | C-terminal fragment(residues 576-751) of binding region of SraP | | Descriptor: | CALCIUM ION, Serine-rich adhesin for platelets | | Authors: | Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z. | | Deposit date: | 2013-08-01 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
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4M8I
 | | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Filippova, E.V, Olsen, D.B, Therien, A, Shuvalova, L, Young, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP
To be Published
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4MBO
 | | 1.65 Angstrom Crystal Structure of Serine-rich Repeat Adhesion Glycoprotein (Srr1) from Streptococcus agalactiae | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Seo, H.S, Seepersaud, R, Doran, K.S, Iverson, T.M, Sullam, P.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Characterization of Fibrinogen Binding by Glycoproteins Srr1 and Srr2 of Streptococcus agalactiae.
J.Biol.Chem., 288, 2013
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4M76
 | | Integrin I domain of complement receptor 3 in complex with C3d | | Descriptor: | Complement C3, Integrin alpha-M, NICKEL (II) ION | | Authors: | Bajic, G, Yatime, L, Vorup-Jensen, T, Andersen, G.R. | | Deposit date: | 2013-08-12 | | Release date: | 2013-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structural insight on the recognition of surface-bound opsonins by the integrin I domain of complement receptor 3.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MEE
 | | Crystal structure of the transport unit of the autotransporter AIDA-I from Escherichia coli | | Descriptor: | Diffuse adherence adhesin | | Authors: | Gawarzewski, I, Tschapek, B, Hoeppner, A, Smits, S.H, Jose, J, Schmitt, L. | | Deposit date: | 2013-08-26 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the transport unit of the autotransporter adhesin involved in diffuse adherence from Escherichia coli.
J.Struct.Biol., 187, 2014
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4LP5
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4MGE
 | | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PTS system, ... | | Authors: | Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-28 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis.
TO BE PUBLISHED
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4LRL
 | | Structure of an Enterococcus Faecalis HD-domain protein complexed with dGTP and dTTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HD domain protein, ... | | Authors: | Vorontsov, I.I, Minasov, G, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-07-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanisms of Allosteric Activation and Inhibition of the Deoxyribonucleoside Triphosphate Triphosphohydrolase from Enterococcus faecalis.
J.Biol.Chem., 289, 2014
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4LPQ
 | | Crystal structure of the L,D-transpeptidase (residues 123-326) from Xylanimonas cellulosilytica DSM 15894 | | Descriptor: | CHLORIDE ION, ErfK/YbiS/YcfS/YnhG family protein | | Authors: | Nocek, B, Bigelow, L, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-07-16 | | Release date: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of the L,D-transpeptidase (residues 123-326) from Xylanimonas cellulosilytica DSM 15894
To be Published
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4LUQ
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4M01
 | | N terminal fragment(residues 245-575) of binding region of SraP | | Descriptor: | CALCIUM ION, GLYCEROL, Serine-rich adhesin for platelets | | Authors: | Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z. | | Deposit date: | 2013-08-01 | | Release date: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
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4M7J
 | | Crystal structure of S25-26 in complex with Kdo(2.8)Kdo(2.4)Kdo trisaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H. | | Deposit date: | 2013-08-12 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
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4M7A
 | | Crystal structure of Lsm2-8 complex bound to the 3' end sequence of U6 snRNA | | Descriptor: | U6 snRNA, U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3, ... | | Authors: | Zhou, L, Hang, J, Zhou, Y, Wan, R, Lu, G, Yan, C, Shi, Y. | | Deposit date: | 2013-08-12 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Crystal structures of the Lsm complex bound to the 3' end sequence of U6 small nuclear RNA.
Nature, 506, 2014
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4LSI
 | | Ion selectivity of OmpF porin soaked in 0.3M KBr | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Balasundaresan, D, Blachowicz, L, Roux, B. | | Deposit date: | 2013-07-22 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
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4LZL
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4LS1
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 | | Descriptor: | 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | | Deposit date: | 2013-07-21 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
To be Published
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