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1TOX
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BU of 1tox by Molmil
DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD
Descriptor: DIPHTHERIA TOXIN (DIMERIC), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bell, C.E, Eisenberg, D.
Deposit date:1995-10-06
Release date:1996-06-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of diphtheria toxin bound to nicotinamide adenine dinucleotide.
Biochemistry, 35, 1996
6SKT
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BU of 6skt by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
1MO5
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BU of 1mo5 by Molmil
RECA-ATP-GAMMA-S-MG COMPLEX
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RecA
Authors:Datta, S, Ganesh, N, Chandra, N.R, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-09-07
Release date:2003-02-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural studies on MtRecA-nucleotide complexes: Insights into DNA and nucleotide binding and the structural signature of NTP recognition
Proteins, 50, 2003
1TOI
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BU of 1toi by Molmil
Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
Descriptor: Aspartate aminotransferase, HYDROCINNAMIC ACID
Authors:Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
Deposit date:2004-06-14
Release date:2004-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
6SS8
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BU of 6ss8 by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Bovay, A.
Deposit date:2019-09-06
Release date:2020-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
2QIN
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BU of 2qin by Molmil
Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant
Descriptor: MAGNESIUM ION, Metallo-beta-lactamase L1, ZINC ION
Authors:Spencer, J.
Deposit date:2007-07-05
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Biochemistry, 46, 2007
6C05
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BU of 6c05 by Molmil
Mycobacterium tuberculosis RNAP Holo/RbpA in relaxed state
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M.
Deposit date:2017-12-27
Release date:2018-03-28
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (5.15 Å)
Cite:Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
2QXU
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BU of 2qxu by Molmil
Crystal Structure Analysis of the Bacillus subtilis lipase crystallized at pH 5.0
Descriptor: Lipase
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2007-08-13
Release date:2007-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the remarkable stability of Bacillus subtilis lipase (Lip A) at low pH
Biochim.Biophys.Acta, 1784, 2008
1RXS
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BU of 1rxs by Molmil
E. coli uridine phosphorylase: 2'-deoxyuridine phosphate complex
Descriptor: 2'-DEOXYURIDINE, META VANADATE, PHOSPHATE ION, ...
Authors:Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F.
Deposit date:2003-12-18
Release date:2004-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium
J.Mol.Biol., 337, 2004
1S2H
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BU of 1s2h by Molmil
The Mad2 spindle checkpoint protein possesses two distinct natively folded states
Descriptor: Mitotic spindle assembly checkpoint protein MAD2A
Authors:Luo, X, Tang, Z, Xia, G, Wassmann, K, Matsumoto, T, Rizo, J, Yu, H.
Deposit date:2004-01-08
Release date:2004-03-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The Mad2 spindle checkpoint protein has two distinct natively folded states.
Nat.Struct.Mol.Biol., 11, 2004
6JMH
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BU of 6jmh by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-10
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
1CVA
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BU of 1cva by Molmil
STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II
Descriptor: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1993-02-04
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II.
J.Biol.Chem., 268, 1993
1GA0
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BU of 1ga0 by Molmil
STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR
Descriptor: 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ...
Authors:Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R.
Deposit date:2000-11-28
Release date:2001-06-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone.
Biochemistry, 40, 2001
5VBU
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BU of 5vbu by Molmil
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-30
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
J. Biol. Chem., 292, 2017
7ZCS
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BU of 7zcs by Molmil
Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-03-28
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZCR
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BU of 7zcr by Molmil
Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
Deposit date:2022-03-28
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
1OC1
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BU of 1oc1 by Molmil
ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE COMPLEX
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J.
Deposit date:2003-02-03
Release date:2004-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate
Biochem.J., 372, 2003
1T37
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BU of 1t37 by Molmil
Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between group I phospholipase A2 and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution
Descriptor: ACETATE ION, Phospholipase A2 isoform 3, Synthetic peptide
Authors:Singh, R.K, Singh, N, Jabeen, T, Makker, J, Sharma, S, Dey, S, Singh, T.P.
Deposit date:2004-04-25
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2.6 A resolution.
J.Drug Target., 13, 2005
3AS5
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BU of 3as5 by Molmil
MamA AMB-1 P212121
Descriptor: MAGNESIUM ION, MamA
Authors:Zeytuni, N, Davidov, G, Zarivach, R.
Deposit date:2010-12-10
Release date:2011-07-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
1NS2
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BU of 1ns2 by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis mutant E304A complexed with galactose
Descriptor: GALACTOSE MUTAROTASE, NICKEL (II) ION, beta-D-galactopyranose
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2003-01-27
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Catalytic Mechanism of Galactose Mutarotase
Protein Sci., 12, 2003
1NSV
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BU of 1nsv by Molmil
Crystal structure of galactose mutarotase from Lactococcus lactis mutant H96N complexed with glucose
Descriptor: GALACTOSE MUTAROTASE, SODIUM ION, beta-D-glucopyranose
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of Galactose Mutarotase
Protein Sci., 12, 2003
6TDC
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BU of 6tdc by Molmil
PPAR gamma ligand binding domain in complex with MRL-871
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma
Authors:de Vries, R.M.J.M, Leijten-van de Gevel, I.A, van Herk, K.H.N, Brunsveld, L.
Deposit date:2019-11-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Binding of PPAR(gamma) to MRL871
To Be Published
6JO1
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BU of 6jo1 by Molmil
Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-19
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6CNY
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BU of 6cny by Molmil
2.3 Angstrom Structure of Phosphodiesterase treated Vivid (complex with FMN)
Descriptor: FLAVIN MONONUCLEOTIDE, Vivid PAS protein VVD
Authors:Zoltowski, B.D, Shabalin, I.G, Kowiel, M, Porebski, P.J, Crane, B.R, Bilwes, A.M.
Deposit date:2018-03-09
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational switching in the fungal light sensor Vivid.
Science, 316, 2007
1SO0
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BU of 1so0 by Molmil
Crystal structure of human galactose mutarotase complexed with galactose
Descriptor: aldose 1-epimerase, beta-D-galactopyranose
Authors:Thoden, J.B, Timson, D.J, Reece, R.J, Holden, H.M.
Deposit date:2004-03-12
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular structure of human galactose mutarotase
J.Biol.Chem., 279, 2004

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