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4NAO
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BU of 4nao by Molmil
Crystal structure of EasH
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, HEXAETHYLENE GLYCOL, ...
Authors:Janke, R, Havemann, J, Vogel, D, Keller, U, Loll, B.
Deposit date:2013-10-22
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Cyclolization of d-lysergic Acid alkaloid peptides.
Chem.Biol., 21, 2014
4OC2
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BU of 4oc2 by Molmil
X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CEIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C.
Deposit date:2014-01-08
Release date:2014-05-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
4OLE
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BU of 4ole by Molmil
Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A resolution
Descriptor: 1,2-ETHANEDIOL, Next to BRCA1 gene 1 protein, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-23
Release date:2014-02-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A resolution
To be published
4OZ0
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BU of 4oz0 by Molmil
Crystal structure of human CAPERalpha U2AF homology motif (apo-state)
Descriptor: CHLORIDE ION, RNA-binding protein 39
Authors:Loerch, S, Kielkopf, C.L.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cancer-relevant splicing factor CAPER alpha engages the essential splicing factor SF3b155 in a specific ternary complex.
J.Biol.Chem., 289, 2014
4Q98
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BU of 4q98 by Molmil
Crystal structure of a fimbrilin (fimA) from Porphyromonas gingivalis W83 at 1.30 A resolution (PSI Community Target, Nakayama)
Descriptor: Major fimbrial subunit protein, SODIUM ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-29
Release date:2014-06-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Distinct Type of Pilus from the Human Microbiome.
Cell, 165, 2016
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
Descriptor: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-22
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
4PW1
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BU of 4pw1 by Molmil
Crystal structure of a protein with unknown function (CLOLEP_02462) from Clostridium leptum DSM 753 at 2.10 A resolution
Descriptor: GLYCEROL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-03-18
Release date:2014-06-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a hypothetical protein (CLOLEP_02462) from Clostridium leptum DSM 753 at 2.10 A resolution
To be published
4QB7
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BU of 4qb7 by Molmil
Crystal structure of a fimbrial protein (BVU_2522) from Bacteroides vulgatus ATCC 8482 at 2.55 A resolution
Descriptor: CHLORIDE ION, SULFATE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-06
Release date:2014-07-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Distinct Type of Pilus from the Human Microbiome.
Cell, 165, 2016
4PYP
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BU of 4pyp by Molmil
Crystal structure of the human glucose transporter GLUT1
Descriptor: Solute carrier family 2, facilitated glucose transporter member 1, nonyl beta-D-glucopyranoside
Authors:Deng, D, Yan, C.Y, Xu, C, Wu, J.P, Sun, P.C, Hu, M.X, Yan, N.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Crystal structure of the human glucose transporter GLUT1
Nature, 510, 2014
4Q1V
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BU of 4q1v by Molmil
Crystal structure of a putative dipeptidyl aminopeptidase IV (BACOVA_01349) from Bacteroides ovatus ATCC 8483 at 2.48 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, putative dipeptidyl aminopeptidase IV
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-04
Release date:2014-05-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of a putative dipeptidyl aminopeptidase IV (BACOVA_01349) from Bacteroides ovatus ATCC 8483 at 2.48 A resolution
To be published
4QDY
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BU of 4qdy by Molmil
Crystal structure of a YbbR-like protein (SP_1560) from Streptococcus pneumoniae TIGR4 at 2.74 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, conserved hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-14
Release date:2014-07-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure of a conserved hypothetical protein (SP_1560) from Streptococcus pneumoniae TIGR4 at 2.74 A resolution
To be published
4QEY
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BU of 4qey by Molmil
Crystal structure of a DUF4425 family protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-19
Release date:2014-07-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution
To be published
4QHU
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BU of 4qhu by Molmil
Crystal Structure of IL-17A/Fab6785 complex
Descriptor: CHLORIDE ION, Fab6785 heavy chain, Fab6785 light chain, ...
Authors:Luo, J, Gilliland, G.L, Malia, T, Obmolova, G, Teplyakov, A.
Deposit date:2014-05-29
Release date:2015-08-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:IL-17A Asymmetry in a Complex with a Neutralizing Antibody Fab6785 Reveals a Potential Mechanism of Receptor Differentiation
To be Published
4QJO
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BU of 4qjo by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-04
Release date:2015-04-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QK9
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BU of 4qk9 by Molmil
Thermovirga lienii c-di-AMP riboswitch
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, MAGNESIUM ION
Authors:Gao, A, Serganov, A.
Deposit date:2014-06-05
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
4Q9I
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BU of 4q9i by Molmil
P-glycoprotein cocrystallised with QZ-Ala
Descriptor: (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.781 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4Q4V
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BU of 4q4v by Molmil
Crystal structure of Coxsackievirus A24v
Descriptor: Coxsackievirus capsid protein VP1, Coxsackievirus capsid protein VP2, Coxsackievirus capsid protein VP3, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2014-04-15
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4PYY
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BU of 4pyy by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-03-28
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q68
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BU of 4q68 by Molmil
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.07 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-21
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structure-guided functional characterization of DUF1460 reveals a highly specific NlpC/P60 amidase family.
Structure, 22, 2014
4QD2
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BU of 4qd2 by Molmil
Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex
Descriptor: CALCIUM ION, Cadherin-1, Hemagglutinin component HA17, ...
Authors:Lee, K, Zhong, X, Gu, S, Kruel, A, Dorner, M.B, Perry, K, Rummel, A, Dong, M, Jin, R.
Deposit date:2014-05-13
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex.
Science, 344, 2014
4QFU
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BU of 4qfu by Molmil
Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, NITRATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-21
Release date:2014-07-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution
To be published
4Q6E
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BU of 4q6e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide
Descriptor: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-22
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
4QJM
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BU of 4qjm by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJX
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BU of 4qjx by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-05
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QK8
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BU of 4qk8 by Molmil
Thermoanaerobacter pseudethanolicus c-di-AMP riboswitch
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, MAGNESIUM ION, ...
Authors:Gao, A, Serganov, A.
Deposit date:2014-06-05
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014

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