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1N2E
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Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1SCN
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BU of 1scn by Molmil
INACTIVATION OF SUBTILISIN CARLSBERG BY N-(TERT-BUTOXYCARBONYL-ALANYL-PROLYL-PHENYLALANYL)-O-BENZOL HYDROXYLAMINE: FORMATION OF COVALENT ENZYME-INHIBITOR LINKAGE IN THE FORM OF A CARBAMATE DERIVATIVE
Descriptor: CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(carboxyamino)-2-phenylethyl]-L-prolinamide, SODIUM ION, ...
Authors:Steinmetz, A.C.U, Demuth, H.-U, Ringe, D.
Deposit date:1994-03-02
Release date:1994-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inactivation of subtilisin Carlsberg by N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-O-benzolhydroxyl- amine: formation of a covalent enzyme-inhibitor linkage in the form of a carbamate derivative.
Biochemistry, 33, 1994
1SF2
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BU of 1sf2 by Molmil
Structure of E. coli gamma-aminobutyrate aminotransferase
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D.
Deposit date:2004-02-19
Release date:2004-09-14
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
1SCB
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BU of 1scb by Molmil
ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT
Descriptor: ACETONITRILE, CALCIUM ION, SUBTILISIN CARLSBERG
Authors:Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M.
Deposit date:1993-07-13
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme crystal structure in a neat organic solvent.
Proc.Natl.Acad.Sci.USA, 90, 1993
7K58
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BU of 7k58 by Molmil
Structure of outer-arm dyneins bound to microtubule with microtubule binding state 1(MTBS-1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
Authors:Qinhui, R, Kai, Z.
Deposit date:2020-09-16
Release date:2021-09-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7K5B
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BU of 7k5b by Molmil
Structure of outer-arm dynein bound to microtubule doublet in microtubule binding state 2 (MTBS-2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
Authors:Rao, Q, Zhang, K.
Deposit date:2020-09-16
Release date:2021-09-29
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
1C0R
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BU of 1c0r by Molmil
COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID
Descriptor: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-20
Release date:1999-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
1N5Y
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HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P)
Descriptor: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
Authors:Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2002-11-07
Release date:2003-01-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA
Embo J., 21, 2002
1S6F
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BU of 1s6f by Molmil
PORCINE TRYPSIN COVALENT COMPLEX WITH BORATE AND GUANIDINE-3 INHIBITOR
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E.
Deposit date:2004-01-23
Release date:2004-03-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
1SKX
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Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
Descriptor: Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
1SLU
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RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN
Descriptor: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
Authors:Brinen, L.S, Fletterick, R.J.
Deposit date:1996-02-07
Release date:1996-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
1SOT
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BU of 1sot by Molmil
Crystal Structure of the DegS stress sensor
Descriptor: Protease degS
Authors:Wilken, C, Kitzing, K, Kurzbauer, R, Ehrmann, M, Clausen, T.
Deposit date:2004-03-15
Release date:2004-06-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the DegS stress sensor: How a PDZ domain recognizes misfolded protein and activates a protease
Cell(Cambridge,Mass.), 117, 2004
1C7V
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BU of 1c7v by Molmil
NMR SOLUTION STRUCTURE OF THE CALCIUM-BOUND C-TERMINAL DOMAIN (W81-S161) OF CALCIUM VECTOR PROTEIN FROM AMPHIOXUS
Descriptor: CALCIUM VECTOR PROTEIN
Authors:Theret, I, Baladi, S, Cox, J.A, Sakamoto, H, Craescu, C.T.
Deposit date:2000-03-27
Release date:2000-04-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Sequential calcium binding to the regulatory domain of calcium vector protein reveals functional asymmetry and a novel mode of structural rearrangement.
Biochemistry, 39, 2000
1N6X
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BU of 1n6x by Molmil
RIP-phasing on Bovine Trypsin
Descriptor: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
Authors:Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
Deposit date:2002-11-12
Release date:2003-03-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
1SCI
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BU of 1sci by Molmil
K236L mutant of hydroxynitrile lyase from Hevea brasiliensis
Descriptor: (S)-acetone-cyanohydrin lyase, SULFATE ION
Authors:Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C.
Deposit date:2004-02-12
Release date:2004-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236
J.Biol.Chem., 279, 2004
1N6Y
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RIP-phasing on Bovine Trypsin
Descriptor: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
Authors:Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
Deposit date:2002-11-12
Release date:2003-03-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
1N0A
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BU of 1n0a by Molmil
Turn stability in beta-hairpin peptides: 3:5 type I G1 bulge turns
Descriptor: bhpw_pdg, beta-hairpin peptide
Authors:Blandl, T, Cochran, A.G, Skelton, N.J.
Deposit date:2002-10-11
Release date:2003-10-21
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Turn stability in beta-hairpin peptides: Investigation of peptides containing 3:5 type I G1 bulge turns
PROTEIN SCI., 12, 2003
1N6Q
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BU of 1n6q by Molmil
HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N)
Descriptor: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
Authors:Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2002-11-11
Release date:2003-01-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA
Embo J., 21, 2002
1N5W
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BU of 1n5w by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Oxidized form
Descriptor: CU(I)-S-MO(VI)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-07
Release date:2002-12-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
1N63
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BU of 1n63 by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Carbon monoxide reduced state
Descriptor: CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-08
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
1N61
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BU of 1n61 by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state
Descriptor: CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ...
Authors:Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
Deposit date:2002-11-08
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
1SGR
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BU of 1sgr by Molmil
LEU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
Descriptor: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
Authors:Huang, K, James, M.N.G.
Deposit date:1995-05-26
Release date:1995-10-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SCK
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BU of 1sck by Molmil
K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetone
Descriptor: (S)-acetone-cyanohydrin lyase, ACETONE, SULFATE ION
Authors:Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C.
Deposit date:2004-02-12
Release date:2004-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236
J.Biol.Chem., 279, 2004
1NAH
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BU of 1nah by Molmil
UDP-GALACTOSE 4-EPIMERASE FROM ESCHERICHIA COLI, REDUCED
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Thoden, J.B, Frey, P.A, Holden, H.M.
Deposit date:1995-11-22
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the oxidized and reduced forms of UDP-galactose 4-epimerase isolated from Escherichia coli.
Biochemistry, 35, 1996
1C93
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Endo-Beta-N-Acetylglucosaminidase H, D130N/E132Q Double Mutant
Descriptor: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H
Authors:Rao, V, Cui, T, Guan, C, Van Roey, P.
Deposit date:1999-07-30
Release date:1999-11-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutations of endo-beta-N-acetylglucosaminidase H active site residues Asp130 and Glu132: activities and conformations.
Protein Sci., 8, 1999

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