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4ND5
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BU of 4nd5 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum
Descriptor: Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4NEO
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BU of 4neo by Molmil
Structure of BlmI, a type-II acyl-carrier-protein from Streptomyces verticillus involved in bleomycin biosynthesis
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Peptide synthetase NRPS type II-PCP
Authors:Cuff, M.E, Bigelow, L, Bearden, J, Babnigg, G, Bruno, C.J.P, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of BlmI as a model for nonribosomal peptide synthetase peptidyl carrier proteins.
Proteins, 82, 2014
4NZM
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BU of 4nzm by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5
Descriptor: (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2013-12-12
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
4ND4
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BU of 4nd4 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (pyruvic acid) and cofactor (b-nicotinamide adenine dinucleotide)
Descriptor: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4LQI
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BU of 4lqi by Molmil
Yeast 20S Proteasome in complex with Vibralactone
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:List, A, Zeiler, E, Gallastegui, N, Rusch, M, Hedberg, C, Sieber, S.A, Groll, M.
Deposit date:2013-07-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Omuralide and Vibralactone: Differences in the Proteasome-beta-Lactone-gamma-Lactam Binding Scaffold Alter Target Preferences.
Angew.Chem.Int.Ed.Engl., 53, 2014
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4MA8
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BU of 4ma8 by Molmil
Crystal structure of mouse prion protein complexed with Chlorpromazine
Descriptor: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Major prion protein, POM1 heavy chain, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2013-08-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of prion inhibition by phenothiazine compounds.
Structure, 22, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, L.I, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
4NZO
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BU of 4nzo by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4
Descriptor: (1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2013-12-12
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, I.L, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
4NYT
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BU of 4nyt by Molmil
L-Ficolin Complexed to Phosphocholine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Laffly, E, Gaboriaud, C, Martin, L, Thielens, N.
Deposit date:2013-12-11
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human L-ficolin recognizes phosphocholine moieties of pneumococcal teichoic Acid
J.Immunol., 193, 2014
4NZN
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BU of 4nzn by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4
Descriptor: (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2013-12-12
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
1MIT
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BU of 1mit by Molmil
RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE)
Descriptor: TRYPSIN INHIBITOR V
Authors:Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R.
Deposit date:1995-10-26
Release date:1996-04-03
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy.
Biochemistry, 35, 1996
4GGJ
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BU of 4ggj by Molmil
Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD)
Descriptor: Mitochondrial cardiolipin hydrolase, ZINC ION
Authors:Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L.
Deposit date:2012-08-06
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis.
Nature, 491, 2012
1WQS
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BU of 1wqs by Molmil
Crystal structure of Norovirus 3C-like protease
Descriptor: 3C-like protease, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ...
Authors:Nakamura, K, Someya, Y, Kumasaka, T, Tanaka, N.
Deposit date:2004-10-01
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A norovirus protease structure provides insights into active and substrate binding site integrity
J.Virol., 79, 2005
4G6U
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BU of 4g6u by Molmil
CdiA-CT/CdiI toxin and immunity complex from Escherichia coli
Descriptor: ACETATE ION, CHLORIDE ION, EC869 CdiA-CT, ...
Authors:Morse, R.P, Nikolakakis, K, Willet, J, Gerrick, E, Low, D.A, Hayes, C.S, Goulding, C.W.
Deposit date:2012-07-19
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Structural basis of toxicity and immunity in contact-dependent growth inhibition (CDI) systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
4G8F
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BU of 4g8f by Molmil
Crystal Structure of clone42 TCR
Descriptor: alpha chain clone 42 TCR, beta chain clone 42 TCR
Authors:Gras, S, Bhati, M, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved human T cell population targets mycobacterial antigens presented by CD1b.
Nat.Immunol., 14, 2013
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
1MVZ
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BU of 1mvz by Molmil
NMR solution structure of a Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata)
Descriptor: Bowman-Birk type protease inhibitor, (MSTI)
Authors:Catalano, M, Ragona, L, Molinari, H, Tava, A, Zetta, L.
Deposit date:2002-09-27
Release date:2003-04-22
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata): solution structure and analysis of self-association behaviour
Biochemistry, 42, 2003
1X3K
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BU of 1x3k by Molmil
Crystal structure of a hemoglobin component (TA-V) from Tokunagayusurika akamusi
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin component V
Authors:Kuwada, T, Hasegawa, T, Sato, S, Sato, I, Ishikawa, K, Takagi, T, Shishikura, F.
Deposit date:2005-05-09
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structures of two hemoglobin components from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera).
Gene, 398, 2007
1N0J
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BU of 1n0j by Molmil
The Structure of Human Mitochondrial MN3+ Superoxide Dismutase Reveals a Novel Tetrameric Interface of Two 4-Helix Bundles
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn]
Authors:Borgstahl, G.E.O, Parge, H.E, Tainer, J.A.
Deposit date:2002-10-14
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of Human Mitochondrial Mn3+ Superoxide Dismutase Reveals a Novel Tetrameric Interface of Two 4-Helix Bundles
Cell(Cambridge,Mass.), 71, 1992
1X46
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BU of 1x46 by Molmil
Crystal structure of a hemoglobin component (TA-VII) from Tokunagayusurika akamusi
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin component VII
Authors:Kuwada, T, Hasegawa, T, Sato, S, Sato, I, Ishikawa, K, Takagi, T, Shishikura, F.
Deposit date:2005-05-14
Release date:2005-05-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of two hemoglobin components from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera).
Gene, 398, 2007
1O5D
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BU of 1o5d by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor
Authors:Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
Deposit date:2003-09-09
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004

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