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1AU3
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BU of 1au3 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
Descriptor: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1ATK
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BU of 1atk by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64
Descriptor: CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1996-12-19
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human osteoclast cathepsin K complex with E-64.
Nat.Struct.Biol., 4, 1997
1AU0
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BU of 1au0 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC DIACYLAMINOMETHYL KETONE INHIBITOR
Descriptor: 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-09
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1B5T
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BU of 1b5t by Molmil
ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE)
Authors:Guenther, B.D, Sheppard, C.A, Tran, P, Rozen, R, Matthews, R.G, Ludwig, M.L.
Deposit date:1999-01-07
Release date:1999-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure and properties of methylenetetrahydrofolate reductase from Escherichia coli suggest how folate ameliorates human hyperhomocysteinemia.
Nat.Struct.Biol., 6, 1999
1BEA
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BU of 1bea by Molmil
BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE
Descriptor: BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR
Authors:Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
1AU2
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BU of 1au2 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR
Descriptor: 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-09-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1AYI
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BU of 1ayi by Molmil
COLICIN E7 IMMUNITY PROTEIN IM7
Descriptor: COLICIN E IMMUNITY PROTEIN 7
Authors:Dennis, C.A, Pauptit, R.A, Wallis, R, James, R, Moore, G.R, Kleanthous, C.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural comparison of the colicin immunity proteins Im7 and Im9 gives new insights into the molecular determinants of immunity-protein specificity.
Biochem.J., 333 ( Pt 1), 1998
1BIF
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BU of 1bif by Molmil
6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE BIFUNCTIONAL ENZYME COMPLEXED WITH ATP-G-S AND PHOSPHATE
Descriptor: 6-PHOSPHOFRUCTO-2-KINASE/ FRUCTOSE-2,6-BISPHOSPHATASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Hasemann, C.A, Deisenhofer, J.
Deposit date:1996-11-08
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the bifunctional enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase reveals distinct domain homologies.
Structure, 4, 1996
1BFA
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BU of 1bfa by Molmil
RECOMBINANT BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE
Descriptor: BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR
Authors:Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
1BY8
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BU of 1by8 by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K
Descriptor: PROTEIN (PROCATHEPSIN K)
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-10-27
Release date:1999-10-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of human procathepsin K.
Biochemistry, 38, 1999
1BYY
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BU of 1byy by Molmil
SODIUM CHANNEL IIA INACTIVATION GATE
Descriptor: PROTEIN (SODIUM CHANNEL ALPHA-SUBUNIT)
Authors:Rohl, C.A, Boeckman, F.A, Baker, C, Scheuer, T, Catterall, W.A, Klevit, R.E.
Deposit date:1998-10-21
Release date:1999-10-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the sodium channel inactivation gate.
Biochemistry, 38, 1999
1BP4
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BU of 1bp4 by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-08-12
Release date:1999-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
1BQI
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BU of 1bqi by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
Descriptor: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-08-16
Release date:1999-08-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
1C2P
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BU of 1c2p by Molmil
HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
Descriptor: RNA-DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Cable, M.B, Ferrari, E, Hong, Z, Mannarino, A.F, Weber, P.C.
Deposit date:1999-07-26
Release date:2000-04-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site.
Nat.Struct.Biol., 6, 1999
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
8DA2
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BU of 8da2 by Molmil
Acinetobacter baumannii L,D-transpeptidase
Descriptor: L,D-transpeptidase family protein
Authors:Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B.
Deposit date:2022-06-12
Release date:2022-09-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture.
Acs Infect Dis., 8, 2022
2HPD
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BU of 2hpd by Molmil
CRYSTAL STRUCTURE OF HEMOPROTEIN DOMAIN OF P450BM-3, A PROTOTYPE FOR MICROSOMAL P450'S
Descriptor: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ravichandran, K.G, Boddupalli, S.S, Hasemann, C.A, Peterson, J.A, Deisenhofer, J.
Deposit date:1993-09-16
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of hemoprotein domain of P450BM-3, a prototype for microsomal P450's.
Science, 261, 1993
8DK0
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BU of 8dk0 by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound (S)gamma-valerolactone
Descriptor: CALCIUM ION, Gluconolactonase, SODIUM ION, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2022-07-01
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8DJZ
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BU of 8djz by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound product
Descriptor: (4R)-4-hydroxypentanoic acid, CALCIUM ION, Gluconolactonase, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2022-07-01
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
8DJF
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BU of 8djf by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound tetrahedral intermediate
Descriptor: (5S)-5-methyloxolane-2,2-diol, CALCIUM ION, Gluconolactonase, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2022-06-30
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
2IAD
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BU of 2iad by Molmil
CLASS II MHC I-AD IN COMPLEX WITH AN INFLUENZA HEMAGGLUTININ PEPTIDE 126-138
Descriptor: MHC CLASS II I-AD
Authors:Scott, C.A, Peterson, P.A, Teyton, L, Wilson, I.A.
Deposit date:1998-03-13
Release date:1998-11-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of two I-Ad-peptide complexes reveal that high affinity can be achieved without large anchor residues.
Immunity, 8, 1998
8D3O
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BU of 8d3o by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-methoxyquinolin-4-amine, Apoptosis-inducing factor (AIF), ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3G
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BU of 8d3g by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024

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