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1X7A
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BU of 1x7a by Molmil
Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Descriptor: 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ...
Authors:Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M.
Deposit date:2004-08-13
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
4BCJ
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BU of 4bcj by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
1U7H
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BU of 1u7h by Molmil
Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E.
Deposit date:2004-08-03
Release date:2004-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family;
Biochemistry, 43, 2004
5H94
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BU of 5h94 by Molmil
Crystal structure of Swine MHC CLASSI for 1.48 angstroms
Descriptor: Beta-2-microglobulin, MHC class I antigen, Nonapeptide from Influenza A virus HA protein
Authors:Fan, S, Zhang, N, Wang, S, Wu, Y, Xia, C.
Deposit date:2015-12-25
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural and Biochemical Analyses of Swine Major Histocompatibility Complex Class I Complexes and Prediction of the Epitope Map of Important Influenza A Virus Strains
J.Virol., 90, 2016
4TPT
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BU of 4tpt by Molmil
Crystal Structure of the Human LIMK2 Kinase Domain In Complex With a Non-ATP Competitive Inhibitor
Descriptor: LIM domain kinase 2, N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide
Authors:Goodwin, N.C, Cianchetta, G, Hamman, B.L, Burgoon, H.A, Healy, J, Mabon, S, Strobel, E.D, Wang, S, Rawlins, D.B.
Deposit date:2014-06-09
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation.
Acs Med.Chem.Lett., 6, 2015
1L0O
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BU of 1l0o by Molmil
Crystal Structure of the Bacillus stearothermophilus Anti-Sigma Factor SpoIIAB with the Sporulation Sigma Factor SigmaF
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, MAGNESIUM ION, ...
Authors:Campbell, E.A, Masuda, S, Sun, J.L, Muzzin, O, Olson, C.A, Wang, S, Darst, S.A.
Deposit date:2002-02-12
Release date:2002-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the Bacillus stearothermophilus anti-sigma factor SpoIIAB with the sporulation sigma factor sigmaF.
Cell(Cambridge,Mass.), 108, 2002
4JLW
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BU of 4jlw by Molmil
Crystal structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa
Descriptor: Glutathione-independent formaldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Chen, S, Liao, Y.P, Wang, D.L, Wang, S, Ding, J.F, Wang, Y.M, Cai, L.J, Ran, X.Y, Zhu, H.X.
Deposit date:2013-03-13
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa: the binary complex with the cofactor NAD+.
Acta Crystallogr.,Sect.F, 69, 2013
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
Descriptor: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
Authors:Guo, Y, Wang, S, Nie, Y, Li, S.
Deposit date:2018-06-21
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
1TH8
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BU of 1th8 by Molmil
Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: inhibitory complex with ADP, crystal form II
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ...
Authors:Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigian, J, Leon, F, Darst, S.A, Campbell, E.A.
Deposit date:2004-06-01
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA.
J.Mol.Biol., 340, 2004
6JJP
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BU of 6jjp by Molmil
Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ...
Authors:Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M.
Deposit date:2019-02-26
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
7XJF
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BU of 7xjf by Molmil
Crystal structure of 6MW3211 Fab in complex with CD47
Descriptor: 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, CHLORIDE ION, ...
Authors:Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M.
Deposit date:2022-04-16
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment.
Theranostics, 13, 2023
6EEE
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BU of 6eee by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
Descriptor: (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, 1,2-ETHANEDIOL, CARBONATE ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EA1
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BU of 6ea1 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion
Descriptor: (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.815 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE2
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BU of 6ee2 by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor 6i and regulatory zinc ion
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE6
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BU of 6ee6 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6o) and catalytic zinc ion
Descriptor: (2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
2RLI
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BU of 2rli by Molmil
Solution structure of Cu(I) human Sco2
Descriptor: COPPER (I) ION, SCO2 protein homolog, mitochondrial
Authors:Banci, L, Bertini, I, Ciofi-baffoni, S, Gerothanassis, I.P, Leontari, I, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2)
Deposit date:2007-07-11
Release date:2007-08-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A Structural Characterization of Human SCO2
Structure, 15, 2007
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAB
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BU of 6eab by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6j) and catalytic zinc ion
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE4
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BU of 6ee4 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion
Descriptor: (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EE3
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BU of 6ee3 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion
Descriptor: (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EED
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BU of 6eed by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion
Descriptor: (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
1JC9
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BU of 1jc9 by Molmil
TACHYLECTIN 5A FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, techylectin-5A
Authors:Kairies, N, Beisel, H.-G, Fuentes-Prior, P, Tsuda, R, Muta, T, Iwanaga, S, Bode, W, Huber, R, Kawabata, S.
Deposit date:2001-06-08
Release date:2001-11-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The 2.0-A crystal structure of tachylectin 5A provides evidence for the common origin of the innate immunity and the blood coagulation systems.
Proc.Natl.Acad.Sci.USA, 98, 2001
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014

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