4NPW
 
 | | Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine) | | Descriptor: | 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | | Deposit date: | 2013-11-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
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4NNO
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4NP4
 | | Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab | | Descriptor: | Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain | | Authors: | Orth, P, Xiao, L, Hernandez, L.D, Reichert, P, Sheth, P, Beaumont, M, Murgolo, N, Ermakov, G, DiNunzio, E, Racine, F, Karczewski, J, Secore, S, Ingram, R.N, Mayhood, T, Strickland, C, Therien, A.G. | | Deposit date: | 2013-11-20 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography.
J.Biol.Chem., 289, 2014
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4NUC
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS435 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | | Deposit date: | 2013-12-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
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4NBX
 | | Crystal Structure of Clostridium difficile Toxin A fragment TcdA-A1 Bound to A20.1 VHH | | Descriptor: | A20.1 VHH, TcdA | | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-11 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.75 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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4NR2
 | | Crystal structure of STK4 (MST1) SARAH domain | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 4 | | Authors: | Chaikuad, A, Krojer, T, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of STK4 (MST1) SARAH domain
To be Published
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4NUE
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS267 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | | Deposit date: | 2013-12-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
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4NUX
 | | Structure of receptor A | | Descriptor: | Interleukin-17 receptor A | | Authors: | Zhang, B, Han, Y, Deng, J. | | Deposit date: | 2013-12-04 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling.
Acta Crystallogr.,Sect.D, 70, 2014
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4NJA
 | | Crystal structure of Fab 6C8 in complex with MPTS | | Descriptor: | 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ... | | Authors: | Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A. | | Deposit date: | 2013-11-08 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
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4NHD
 | | Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 1, CALCIUM ION, COENZYME A, ... | | Authors: | Hou, J, Zheng, H, Langner, K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-11-04 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
To be Published
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4NPV
 | | Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine) | | Descriptor: | 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | | Deposit date: | 2013-11-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
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4NTJ
 | | Structure of the human P2Y12 receptor in complex with an antithrombotic drug | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ... | | Authors: | Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2013-12-02 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
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4NTT
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4NBZ
 | | Crystal Structure of TcdA-A1 Bound to A26.8 VHH | | Descriptor: | A26.8 VHH, TcdA | | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, 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 (1.75 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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4NE7
 | | Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367 | | Descriptor: | Kumamolisin-As, ZINC ION | | Authors: | Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-28 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR367
To be Published
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4O2I
 | | The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium | | Descriptor: | Non-LEE encoded type III effector C, ZINC ION | | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2013-12-17 | | Release date: | 2014-01-15 | | Last modified: | 2014-05-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium
To be Published
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4NOI
 | | 2.17 Angstrom Crystal Structure of DNA-directed RNA Polymerase Subunit Alpha from Campylobacter jejuni. | | Descriptor: | CHLORIDE ION, DNA-directed RNA polymerase subunit alpha, IODIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | 2.17 Angstrom Crystal Structure of DNA-directed RNA Polymerase Subunit Alpha from Campylobacter jejuni.
TO BE PUBLISHED
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4NQX
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4NFK
 | | Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate | | Descriptor: | Farnesyl pyrophosphate synthase, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Park, J, De schutter, J.W, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-10-31 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase.
PLoS ONE, 12, 2017
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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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4NYM
 | | Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange | | Descriptor: | GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide, ... | | Authors: | Burns, M.C, Sun, Q, Phan, J, Fesik, S.W. | | Deposit date: | 2013-12-10 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5529 Å) | | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4O0F
 | | Crystal structure of the human L-asparaginase protein T219A mutant | | Descriptor: | GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-12-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
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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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4NHI
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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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