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3HLP
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BU of 3hlp by Molmil
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Carboxypeptidase A1 (Pancreatic), ...
Authors:Fernandez, D.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carboxypeptidase A liganded to an organic small-molecule: conformational
To be Published
3I1U
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BU of 3i1u by Molmil
Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator
Descriptor: (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ...
Authors:Fernandez, D.
Deposit date:2009-06-28
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor
Chem.Biol.Drug Des., 75, 2010
6ECA
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BU of 6eca by Molmil
Lactobacillus rhamnosus Beta-glucuronidase
Descriptor: Beta-glucuronidase, CHLORIDE ION, GLYCEROL
Authors:Biernat, K.A, Pellock, S.J, Bhatt, A.P, Bivins, M.M, Walton, W.G, Tran, B.N.T, Wei, L, Snider, M.C, Cesmat, A.P, Tripathy, A, Erie, D.A, Redinbo, M.R.R.
Deposit date:2018-08-07
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
1F7Z
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BU of 1f7z by Molmil
RAT TRYPSINOGEN K15A COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
Authors:Pasternak, A, White, A, Jeffery, C.J, Medina, N, Cahoon, M, Ringe, D, Hedstrom, L.
Deposit date:2000-06-28
Release date:2001-07-04
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
6ED1
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BU of 6ed1 by Molmil
Bacteroides dorei Beta-glucuronidase
Descriptor: Glycosyl hydrolase family 2, sugar binding domain protein, SODIUM ION
Authors:Biernat, K.A, Redinbo, M.R.
Deposit date:2018-08-08
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
3H2K
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BU of 3h2k by Molmil
Crystal structure of a ligand-bound form of the rice cell wall degrading esterase LipA from Xanthomonas oryzae
Descriptor: esterase, octyl beta-D-glucopyranoside
Authors:Aparna, G, Chatterjee, A, Sonti, R.V, Sankaranarayanan, R.
Deposit date:2009-04-14
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Cell Wall-Degrading Esterase of Xanthomonas oryzae Requires a Unique Substrate Recognition Module for Pathogenesis on Rice
Plant Cell, 21, 2009
1EMX
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BU of 1emx by Molmil
SOLUTION STRUCTURE OF HPTX2, A TOXIN FROM HETEROPODA VENATORIA SPIDER VENOM THAT BLOCKS KV4.2 POTASSIUM CHANNEL
Descriptor: HETEROPODATOXIN 2
Authors:Bernard, C, Legros, C, Ferrat, G, Bishoff, U, Marquardt, A, Pongs, O, Darbon, H.
Deposit date:2000-03-20
Release date:2001-01-24
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of hpTX2, a toxin from Heteropoda venatoria spider that blocks Kv4.2 potassium channel.
Protein Sci., 9, 2000
6EC6
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BU of 6ec6 by Molmil
Ruminococcus gnavus Beta-glucuronidase
Descriptor: Beta-glucuronidase, CHLORIDE ION, GLYCEROL
Authors:Biernat, K.A, Redinbo, M.R.
Deposit date:2018-08-07
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
1CFE
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BU of 1cfe by Molmil
P14A, NMR, 20 STRUCTURES
Descriptor: PATHOGENESIS-RELATED PROTEIN P14A
Authors:Fernandez, C, Szyperski, T, Bruyere, T, Ramage, P, Mosinger, E, Wuthrich, K.
Deposit date:1996-11-08
Release date:1997-11-12
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:NMR solution structure of the pathogenesis-related protein P14a.
J.Mol.Biol., 266, 1997
1FY8
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BU of 1fy8 by Molmil
CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX
Descriptor: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
Authors:Pasternak, A, White, A, Jeffery, C.J, Ringe, D, Hedstrom, L.
Deposit date:2000-09-28
Release date:2000-11-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
3JUT
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BU of 3jut by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid
Descriptor: 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1
Authors:Fernandez, I.S, Gimenez-Gallego, G, Romero, A.
Deposit date:2009-09-15
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
1H61
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BU of 1h61 by Molmil
Structure of Pentaerythritol Tetranitrate Reductase in complex with prednisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T.M, Moody, P.C.E.
Deposit date:2001-06-04
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1I26
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BU of 1i26 by Molmil
SOLUTION STRUCTURE OF PTU-1, A TOXIN FROM THE ASSASSIN BUGS PEIRATES TURPIS THAT BLOCKS THE VOLTAGE SENSITIVE CALCIUM CHANNEL N-TYPE
Descriptor: PTU-1
Authors:Bernard, C, Corzo, G, Mosbah, A, Nakajima, T, Darbon, H.
Deposit date:2001-02-06
Release date:2001-11-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of Ptu1, a toxin from the assassin bug Peirates turpis that blocks the voltage-sensitive calcium channel N-type.
Biochemistry, 40, 2001
2RIU
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BU of 2riu by Molmil
Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
3Q20
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BU of 3q20 by Molmil
Crystal structure of RbcX C103A mutant from Thermosynechococcus elongatus
Descriptor: ACETATE ION, HEXANE-1,6-DIOL, RbcX protein
Authors:Tarnawski, M, Krzywda, S, Szczepaniak, A, Jaskolski, M.
Deposit date:2010-12-19
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus
Acta Crystallogr.,Sect.F, 67, 2011
2WG1
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BU of 2wg1 by Molmil
TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
Deposit date:2009-04-15
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
1K5W
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BU of 1k5w by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE SYNAPTOTAGMIN 1 C2B-DOMAIN: SYNAPTOTAGMIN 1 AS A PHOSPHOLIPID BINDING MACHINE
Descriptor: CALCIUM ION, Synaptotagmin I
Authors:Fernandez, I, Arac, D, Ubach, J, Gerber, S.H, Shin, O, Gao, Y, Anderson, R.G.W, Sudhof, T.C, Rizo, J.
Deposit date:2001-10-12
Release date:2002-01-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the synaptotagmin 1 C2B-domain: synaptotagmin 1 as a phospholipid binding machine.
Neuron, 32, 2001
3OWE
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BU of 3owe by Molmil
Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a High Affinity Mutant Mouse T-cell Receptor Chain
Descriptor: Beta-chain, Enterotoxin SEG
Authors:Fernandez, M.M, Cho, S, Robinson, H, Mariuzza, R.A, Malchiodi, M.L.
Deposit date:2010-09-17
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of staphylococcal enterotoxin G (SEG) in complex with a mouse T-cell receptor {beta} chain.
J.Biol.Chem., 286, 2011
1KTX
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BU of 1ktx by Molmil
KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS
Descriptor: KALIOTOXIN
Authors:Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E.
Deposit date:1994-06-02
Release date:1995-01-26
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Kaliotoxin (1-37) shows structural differences with related potassium channel blockers.
Biochemistry, 33, 1994
1LMR
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BU of 1lmr by Molmil
Solution of ADO1, a Toxin from the Assassin Bugs Agriosphodrus dohrni that Blocks the Voltage Sensitive Calcium Channel L-type
Descriptor: TOXIN ADO1
Authors:Bernard, C, Corzo, G, Adachi-Akahane, S, Foures, G, Kanemaru, K, Furukawa, Y, Nakajima, T, Darbon, H.
Deposit date:2002-05-02
Release date:2003-08-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of ADO1, a toxin extracted from the saliva of the assassin bug, Agriosphodrus dohrni
Proteins: STRUCT.,FUNCT.,GENET., 54, 2004
2IC4
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BU of 2ic4 by Molmil
Solution structure of the His402 allotype of the Factor H SCR6-SCR7-SCR8 fragment
Descriptor: Complement factor H
Authors:Fernando, A.N, Furtado, P.B, Gilbert, H.E, Clark, S.J, Day, A.J, Sim, R.B, Perkins, S.J.
Deposit date:2006-09-12
Release date:2007-04-10
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Associative and Structural Properties of the Region of Complement Factor H Encompassing the Tyr402His Disease-related Polymorphism and its Interactions with Heparin.
J.Mol.Biol., 368, 2007
2J1Q
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BU of 2j1q by Molmil
Crystal structure of Trypanosoma cruzi arginine kinase
Descriptor: ARGININE KINASE, GLYCEROL
Authors:Fernandez, P, Haouz, A, Pereira, C.A, Aguilar, C, Alzari, P.M.
Deposit date:2006-08-15
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Trypanosoma Cruzi Arginine Kinase.
Proteins, 69, 2007
2JV2
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BU of 2jv2 by Molmil
Solution Structure of the N-terminal Domain of PH1500
Descriptor: Putative uncharacterized protein PH1500
Authors:Varnay, I, Truffault, V, Coles, M.
Deposit date:2007-09-11
Release date:2007-09-25
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:The Solution Structure of Ph1500-N
To be Published
2G9H
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BU of 2g9h by Molmil
Crystal Structure of Staphylococcal Enterotoxin I (SEI) in Complex with a Human MHC class II Molecule
Descriptor: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:Fernandez, M.M, Guan, R, Malchiodi, E.L, Mariuzza, R.A.
Deposit date:2006-03-06
Release date:2006-07-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of staphylococcal enterotoxin I (SEI) in complex with a human major histocompatibility complex class II molecule.
J.Biol.Chem., 281, 2006
6W14
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BU of 6w14 by Molmil
Crystal structure of tRNA (guanine-N(1)-)-methyltransferase from Mycobacterium smegmatis
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-03-03
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of tRNA (guanine-N(1)-)-methyltransferase from Mycobacterium smegmatis
to be published

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