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2ZT3
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BU of 2zt3 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [750 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2ZTS
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BU of 2zts by Molmil
Crystal structure of KaiC-like protein PH0186 from hyperthermophilic archaea Pyrococcus horikoshii OT3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein PH0186
Authors:Ming, H, Miyazono, K, Tanokura, M.
Deposit date:2008-10-08
Release date:2009-03-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of KaiC-like protein PH0186 from hyperthermophilic archaea Pyrococcus horikoshii OT3
Proteins, 75, 2009
2ZVN
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BU of 2zvn by Molmil
NEMO CoZi domain incomplex with diubiquitin in P212121 space group
Descriptor: NF-kappa-B essential modulator, UBC protein
Authors:Rahighi, S, Ikeda, F, Kawasaki, M, Akutsu, M, Suzuki, N, Kato, R, Kensche, T, Uejima, T, Bloor, S, Komander, D, Randow, F, Wakatsuki, S, Dikic, I.
Deposit date:2008-11-12
Release date:2009-03-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Specific recognition of linear ubiquitin chains by NEMO is important for NF-kappaB activation
Cell(Cambridge,Mass.), 136, 2009
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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
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
2ZSQ
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BU of 2zsq by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [150 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-17
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZSZ
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BU of 2zsz by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [600 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-18
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
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
2Z7G
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BU of 2z7g by Molmil
Crystal structure of adenosine deaminase ligated with EHNA
Descriptor: (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2007-08-20
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Conformational change of adenosine deaminase during ligand-exchange in a crystal
Biochem.Biophys.Res.Commun., 373, 2008
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
2ZJA
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BU of 2zja by Molmil
Archaeal DNA helicase Hjm complexed with AMPPCP in form 2
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Putative ski2-type helicase
Authors:Oyama, T, Oka, H, Fujikane, R, Ishino, Y, Morikawa, K.
Deposit date:2008-02-29
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atomic structures and functional implications of the archaeal RecQ-like helicase Hjm
Bmc Struct.Biol., 9, 2009
4P45
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BU of 4p45 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73
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:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P3F
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BU of 4p3f by Molmil
Structure of the human SRP68-RBD
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Signal recognition particle subunit SRP68
Authors:Grotwinkel, J.T, Wild, K, Sinning, I.
Deposit date:2014-03-07
Release date:2014-04-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:SRP RNA remodeling by SRP68 explains its role in protein translocation.
Science, 344, 2014
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-04
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P4E
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BU of 4p4e by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1D
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:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
2YV9
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BU of 2yv9 by Molmil
Crystal structure of the CLIC homologue EXC-4 from c. elegans
Descriptor: CALCIUM ION, Chloride intracellular channel exc-4
Authors:Harrop, S.J, Littler, D.R, Curmi, P.M.G.
Deposit date:2007-04-10
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparison of vertebrate and invertebrate CLIC proteins: The crystal structures of Caenorhabditis elegans EXC-4 and Drosophila melanogaster DmCLIC
Proteins, 71, 2007
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.182 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P3E
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BU of 4p3e by Molmil
Structure of the human SRP S domain
Descriptor: MAGNESIUM ION, SRP RNA (124-mer), Signal recognition particle 19 kDa protein, ...
Authors:Grotwinkel, J.T, Wild, K, Sinning, I.
Deposit date:2014-03-07
Release date:2014-04-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:SRP RNA remodeling by SRP68 explains its role in protein translocation.
Science, 344, 2014
4MU9
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BU of 4mu9 by Molmil
Crystal structure of a putative glycosylhydrolase (BT_3782) from Bacteroides thetaiotaomicron VPI-5482 at 1.89 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoside hydrolase family 73
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-09-20
Release date:2013-10-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a putative glycosylhydrolase (BT_3782) from Bacteroides thetaiotaomicron VPI-5482 at 1.89 A resolution
To be published
2ZUW
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BU of 2zuw by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GlcNAc and sulfate
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, Lacto-N-biose phosphorylase, ...
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
4MRU
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BU of 4mru by Molmil
Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SusD homolog
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution
To be published
2ZJU
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BU of 2zju by Molmil
Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid
Descriptor: (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein
Authors:Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K.
Deposit date:2008-03-10
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8, 2008
4N9C
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BU of 4n9c by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014

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