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2LQQ
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BU of 2lqq by Molmil
Oxidized Mrx1
Descriptor: Putative glutaredoxin Rv3198.1/MT3292
Authors:Buts, L, Van Laer, K, Messens, J.
Deposit date:2012-03-11
Release date:2012-10-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria.
Mol.Microbiol., 86, 2012
4AU1
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BU of 4au1 by Molmil
Crystal Structure of CobH (precorrin-8x methyl mutase) complexed with C5 desmethyl-HBA
Descriptor: DESMETHYL-HBA, PRECORRIN-8X METHYLMUTASE, SULFATE ION
Authors:Deery, E, Lawrence, A.D, Schroeder, S, Taylor, S.L, Seyedarabi, A, Vevodova, J, Wilson, K.S, Brown, D, Geeves, M.A, Howard, M.J, Pickersgill, R.W, Warren, M.J.
Deposit date:2012-05-11
Release date:2012-09-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An Enzyme-Trap Approach Allows Isolation of Intermediates in Cobalamin Biosynthesis
Nat.Chem.Biol., 8, 2012
1ADN
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BU of 1adn by Molmil
SOLUTION STRUCTURE OF THE DNA METHYLPHOSPHOTRIESTER REPAIR DOMAIN OF ESCHERICHIA COLI ADA
Descriptor: N-ADA 10, ZINC ION
Authors:Myers, L.C, Verdine, G.L, Wagner, G.
Deposit date:1993-09-30
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the DNA methyl phosphotriester repair domain of Escherichia coli Ada.
Biochemistry, 32, 1993
3DZG
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BU of 3dzg by Molmil
Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
Authors:Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
Deposit date:2008-07-29
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZF
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BU of 3dzf by Molmil
Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
Authors:Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
Deposit date:2008-07-29
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZI
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Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex
Descriptor: 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ...
Authors:Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
Deposit date:2008-07-29
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3HEA
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BU of 3hea by Molmil
The L29P/L124I mutation of Pseudomonas fluorescens esterase
Descriptor: Arylesterase, ETHYL ACETATE, GLYCEROL, ...
Authors:Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L.
Deposit date:2009-05-08
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
4LXI
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Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA
Descriptor: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION
Authors:Bhowmik, S, Bolin, J.T.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase.
Biochemistry, 52, 2013
7QBU
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BU of 7qbu by Molmil
B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound.
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, DI(HYDROXYETHYL)ETHER, ...
Authors:Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O.
Deposit date:2021-11-19
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
7QBT
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BU of 7qbt by Molmil
B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound.
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, FE (III) ION, ...
Authors:Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O.
Deposit date:2021-11-19
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
7QBS
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BU of 7qbs by Molmil
B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, S-adenosyl-L-methionine, and peptide bound.
Descriptor: CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ...
Authors:Bernardo-Garcia, N, Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O.
Deposit date:2021-11-19
Release date:2022-02-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
7QBV
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BU of 7qbv by Molmil
B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-adenosyl-L-homocysteine bound.
Descriptor: CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ...
Authors:Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O.
Deposit date:2021-11-19
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
4MLJ
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BU of 4mlj by Molmil
dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate bound to the active site
Descriptor: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Conly, C.J.T.
Deposit date:2013-09-06
Release date:2015-01-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine.
Biochemistry, 53, 2014
4O4S
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BU of 4o4s by Molmil
Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB)
Descriptor: PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT
Authors:Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X.
Deposit date:2013-12-19
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Mechanism of the Phycobiliprotein Lyase CpcT.
J.Biol.Chem., 289, 2014
4MHT
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BU of 4mht by Molmil
TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH NATIVE DNA AND ADOHCY
Descriptor: DNA (5'-D(*GP*AP*TP*AP*GP*(5CM)P*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*(5CM)P*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ...
Authors:Cheng, X.
Deposit date:1996-07-24
Release date:1997-01-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes.
J.Mol.Biol., 261, 1996
1HAY
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BU of 1hay by Molmil
Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
Descriptor: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
Authors:Hoog, S, Abdel-Meguid, S.
Deposit date:1995-03-29
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995
1HAZ
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BU of 1haz by Molmil
Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HB0
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BU of 1hb0 by Molmil
Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HAX
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BU of 1hax by Molmil
Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
2W7Z
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BU of 2w7z by Molmil
Structure of the pentapeptide repeat protein EfsQnr, a DNA gyrase inhibitor. Free amines modified by cyclic pentylation with glutaraldehyde.
Descriptor: CHLORIDE ION, PENTAPEPTIDE REPEAT FAMILY PROTEIN
Authors:Vetting, M.W, Hegde, S.S, Blanchard, J.S.
Deposit date:2009-01-06
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization of a Pentapeptide-Repeat Protein by Reductive Cyclic Pentylation of Free Amines with Glutaraldehyde.
Acta Crystallogr.,Sect.D, 65, 2009
2UXY
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BU of 2uxy by Molmil
Aliphatic amidase
Descriptor: ALIPHATIC AMIDASE, SULFATE ION
Authors:Andrade, J, KArmali, A, Carrondo, M.A, Frazao, C.
Deposit date:2007-04-02
Release date:2007-04-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of Amidase from Pseudomonas Aeruginosa Showing a Trapped Acyl Transfer Reaction Intermediate State.
J.Biol.Chem., 282, 2007
1LIC
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BU of 1lic by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH PALMITATE AND HEXADECANESULFONIC ACID. PROPERTIES OF CAVITY BINDING SITES.
Descriptor: 1-HEXADECANOSULFONIC ACID, ADIPOCYTE LIPID-BINDING PROTEIN, PROPANOIC ACID
Authors:Lalonde, J.M, Bernlohr, D.A, Banaszak, L.J.
Deposit date:1993-12-21
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic structures of adipocyte lipid-binding protein complexed with palmitate and hexadecanesulfonic acid. Properties of cavity binding sites.
Biochemistry, 33, 1994
1LIE
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BU of 1lie by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH PALMITATE AND HEXADECANESULFONIC ACID. PROPERTIES OF CAVITY BINDING SITES
Descriptor: ADIPOCYTE LIPID-BINDING PROTEIN, PALMITIC ACID, PROPANOIC ACID
Authors:Lalonde, J.M, Bernlohr, D.A, Banaszak, L.J.
Deposit date:1993-12-21
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic structures of adipocyte lipid-binding protein complexed with palmitate and hexadecanesulfonic acid. Properties of cavity binding sites.
Biochemistry, 33, 1994
1M9F
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BU of 1m9f by Molmil
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,A88M Complex.
Descriptor: Cyclophilin A, HIV-1 Capsid
Authors:Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
Deposit date:2002-07-28
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003

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