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3ADP
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BU of 3adp by Molmil
Crystal Structure of the Rabbit L-Gulonate 3-Dehydrogenase (NADH Form)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Lambda-crystallin
Authors:Asada, Y, Hara, A, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-01-26
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Rabbit L-Gulonate 3-Dehydrogenase
To be Published
1VD9
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BU of 1vd9 by Molmil
Solution structure of FMBP-1 tandem repeat 3
Descriptor: Fibroin-modulator-binding-protein-1
Authors:Kawaguchi, K, Yamaki, T, Aizawa, T, Takiya, S, Demura, M, Nitta, K.
Deposit date:2004-03-20
Release date:2005-03-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of FMBP-1 tandem repeat 3
To be Published
3QWI
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BU of 3qwi by Molmil
Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol
Descriptor: 1,2-ETHANEDIOL, 17beta-hydroxysteroid dehydrogenase, Coumestrol, ...
Authors:Cassetta, A, Lamba, D, Krastanova, I, Stojan, J, Lanisnik Rizner, T, Kristan, K, Brunskole, M.
Deposit date:2011-02-28
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies on the flavonoid inhibition of a fungal 17Beta-Hydroxysteroid dehydrogenase
Biochem.J., 441, 2012
1DYR
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BU of 1dyr by Molmil
THE STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TO 1.9 ANGSTROMS RESOLUTION
Descriptor: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Champness, J.N, Achari, A, Ballantine, S.P, Bryant, P.K, Delves, C.J, Stammers, D.K.
Deposit date:1994-09-14
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structure of Pneumocystis carinii dihydrofolate reductase to 1.9 A resolution.
Structure, 2, 1994
1PEV
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BU of 1pev by Molmil
Crystal Structure of the Actin Interacting Protein from Caenorhabditis Elegans
Descriptor: Actin interacting protein 1
Authors:Vorobiev, S, Mohri, K, Fedorov, A.A, Ono, S, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-05-22
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of functional residues on Caenorhabditis elegans actin-interacting protein 1 (UNC-78) for disassembly of actin depolymerizing factor/cofilin-bound actin filaments.
J.Biol.Chem., 279, 2004
5SCP
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BU of 5scp by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
to be published
5SA3
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BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
1HT5
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BU of 1ht5 by Molmil
THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN METHYL ESTER, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J.
Deposit date:2000-12-28
Release date:2001-04-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
4GKB
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BU of 4gkb by Molmil
Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier protein] reductase, CALCIUM ION, ...
Authors:Vetting, M.W, Hobbs, M.E, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-08-10
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
To be Published
1VM6
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BU of 1vm6 by Molmil
Crystal structure of Dihydrodipicolinate reductase (TM1520) from Thermotoga maritima at 2.27 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Dihydrodipicolinate reductase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-09-03
Release date:2004-09-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of Dihydrodipicolinate reductase (TM1520) from Thermotoga maritima at 2.27 A resolution
To be published
4GL5
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BU of 4gl5 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)
Descriptor: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
5SOZ
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BU of 5soz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000827900828
Descriptor: (1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2A92
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BU of 2a92 by Molmil
Crystal structure of lactate dehydrogenase from Plasmodium vivax: complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase
Authors:Chaikuad, A, Fairweather, V, Conners, R, Joseph-Horne, T, Turgut-Balik, D, Brady, R.L.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
1EQG
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BU of 1eqg by Molmil
THE 2.6 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH IBUPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, PROSTAGLANDIN H2 SYNTHASE-1, ...
Authors:Loll, P.J, Selinsky, B.S, Gupta, K, Sharkey, C.T.
Deposit date:2000-04-04
Release date:2001-04-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
3RP1
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BU of 3rp1 by Molmil
Crystal structure of Human LAIR-1 in C2 space group
Descriptor: Leukocyte-associated immunoglobulin-like receptor 1
Authors:Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-04-26
Release date:2011-06-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Human LAIR-1 in C2 space group
To be Published
1ELI
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BU of 1eli by Molmil
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR PYRROLE-2-CARBOXYLATE
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S.
Deposit date:2000-03-13
Release date:2000-12-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
1VDA
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BU of 1vda by Molmil
Solution structure of FMBP-1 tandem repeat 4
Descriptor: Fibroin-modulator-binding-protein-1
Authors:Kawaguchi, K, Yamaki, T, Aizawa, T, Takiya, S, Demura, M, Nitta, K.
Deposit date:2004-03-20
Release date:2005-03-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of FMBP-1 tandem repeat 4
To be Published
4KNA
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BU of 4kna by Molmil
Crystal structure of an N-succinylglutamate 5-semialdehyde dehydrogenase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-09
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of an N-succinylglutamate 5-semialdehyde dehydrogenase from Burkholderia thailandensis
TO BE PUBLISHED
1EL7
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BU of 1el7 by Molmil
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYTELLURO]ACETATE
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S.
Deposit date:2000-03-13
Release date:2000-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
1IPF
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BU of 1ipf by Molmil
TROPINONE REDUCTASE-II COMPLEXED WITH NADPH AND TROPINONE
Descriptor: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-II
Authors:Yamashita, A, Endo, M, Higashi, T, Nakatsu, T, Yamada, Y, Oda, J, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-05-09
Release date:2003-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Capturing Enzyme Structure Prior to Reaction Initiation: Tropinone Reductase-II-Substrate Complexes
BIOCHEMISTRY, 42, 2003
2CX3
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BU of 2cx3 by Molmil
Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the Aeropyrum pernix K1 (form-1 crystal)
Descriptor: bacterioferritin comigratory protein
Authors:Mizohata, E, Murayama, K, Idaka, M, Tatsuguchi, A, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-06-27
Release date:2005-12-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the Aeropyrum pernix K1 (form-1 crystal)
To be Published
5OWW
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BU of 5oww by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
Descriptor: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-09-04
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
4FUR
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BU of 4fur by Molmil
Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Urease subunit gamma 2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-28
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
TO BE PUBLISHED
4YA7
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BU of 4ya7 by Molmil
Yeast 20S proteasome beta2-H114D mutant in complex with Ac-LAE-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAE-ep, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-17
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
3NRZ
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BU of 3nrz by Molmil
Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine
Descriptor: DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cao, H, Pauff, J.M, Hille, R.
Deposit date:2010-07-01
Release date:2010-07-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid.
J.Biol.Chem., 285, 2010

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数据于2025-10-15公开中

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